tert-butyl 2-[[1-(phenylmethyl)piperidin-4-yl]-[3-(phenylsulfonylamino)phenyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[1-(phenylmethyl)piperidin-4-yl]-[3-(phenylsulfonylamino)phenyl]amino]ethanoate Openeye Name: tert-butyl 2-[3-(benzenesulfonamido)-N-(1-benzyl-4-piperidyl)anilino]acetate CAS Name: 2-[3-(benzenesulfonamido)-N-[1-(phenylmethyl)-4-piperidinyl]anilino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(benzenesulfonamido)-N-(1-benzylpiperidin-4-yl)anilino]acetate Traditional Name: 2-[3-(benzenesulfonamido)-N-(1-benzyl-4-piperidyl)anilino]acetic acid tert-butyl ester Formula: C30H37N3O4S MolecularWeight: 535.69748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC(=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN(C1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC(=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H37N3O4S/c1-30(2,3)37-29(34)23-33(26-17-19-32(20-18-26)22-24-11-6-4-7-12-24)27-14-10-13-25(21-27)31-38(35,36)28-15-8-5-9-16-28/h4-16,21,26,31H,17-20,22-23H2,1-3H3