tert-butyl 4-[2-[2-[[(2S)-3-ethoxy-3-oxidanylidene-2-(phenylsulfonylamino)propyl]amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-[[(2S)-3-ethoxy-3-oxidanylidene-2-(phenylsulfonylamino)propyl]amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-[[(2S)-2-(benzenesulfonamido)-3-ethoxy-3-oxo-propyl]amino]-2-oxo-ethyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[[(2S)-2-(benzenesulfonamido)-3-ethoxy-3-oxopropyl]amino]-2-oxoethyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-[[(2S)-2-(benzenesulfonamido)-3-ethoxy-3-oxopropyl]amino]-2-oxoethyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-[[(2S)-2-(benzenesulfonamido)-3-ethoxy-3-keto-propyl]amino]-2-keto-ethyl]-1-keto-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C31H41N5O8S MolecularWeight: 643.75094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H](CNC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H41N5O8S/c1-5-43-29(39)26(33-45(41,42)24-9-7-6-8-10-24)20-32-27(37)21-36-14-13-22-11-12-23(19-25(22)28(36)38)34-15-17-35(18-16-34)30(40)44-31(2,3)4/h6-12,19,26,33H,5,13-18,20-21H2,1-4H3,(H,32,37)/t26-/m0/s1