N-[1-(4-tert-butylphenyl)carbonylpiperidin-4-yl]-4-cyano-1-(phenylsulfonyl)indole-3-sulfonamide

Systemtic Name: N-[1-(4-tert-butylphenyl)carbonylpiperidin-4-yl]-4-cyano-1-(phenylsulfonyl)indole-3-sulfonamide Openeye Name: 1-(benzenesulfonyl)-N-[1-(4-tert-butylbenzoyl)-4-piperidyl]-4-cyano-indole-3-sulfonamide CAS Name: 1-(benzenesulfonyl)-N-[1-[(4-tert-butylphenyl)-oxomethyl]-4-piperidinyl]-4-cyano-3-indolesulfonamide IUPAC Name: 1-(benzenesulfonyl)-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-cyanoindole-3-sulfonamide Traditional Name: 1-besyl-N-[1-(4-tert-butylbenzoyl)-4-piperidyl]-4-cyano-indole-3-sulfonamide Formula: C31H32N4O5S2 MolecularWeight: 604.73958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CN(C4=CC=CC(=C43)C#N)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CN(C4=CC=CC(=C43)C#N)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H32N4O5S2/c1-31(2,3)24-14-12-22(13-15-24)30(36)34-18-16-25(17-19-34)33-41(37,38)28-21-35(27-11-7-8-23(20-32)29(27)28)42(39,40)26-9-5-4-6-10-26/h4-15,21,25,33H,16-19H2,1-3H3