N-(2-azanyl-2-oxidanylidene-ethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propan-2-yl-benzamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propan-2-yl-benzamide Openeye Name: N-(2-amino-2-oxo-ethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-isopropyl-benzamide CAS Name: N-(2-amino-2-oxoethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propan-2-ylbenzamide IUPAC Name: N-(2-amino-2-oxoethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propan-2-ylbenzamide Traditional Name: N-(2-amino-2-keto-ethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-isopropyl-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)N)C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)N(CC(=O)N)C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H25N3O4S/c1-15(2)24(14-20(22)25)21(26)17-8-5-9-19(12-17)29(27,28)23-11-10-16-6-3-4-7-18(16)13-23/h3-9,12,15H,10-11,13-14H2,1-2H3,(H2,22,25)