N-(2-dimethylaminoethyl)-4-[4-(1H-indol-3-yl)piperidin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[4-(1H-indol-3-yl)piperidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[4-(1H-indol-3-yl)-1-piperidyl]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[4-(1H-indol-3-yl)-1-piperidinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[4-(1H-indol-3-yl)piperidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[4-(1H-indol-3-yl)piperidino]-3-nitro-benzenesulfonamide Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O4S/c1-26(2)14-11-25-33(31,32)18-7-8-22(23(15-18)28(29)30)27-12-9-17(10-13-27)20-16-24-21-6-4-3-5-19(20)21/h3-8,15-17,24-25H,9-14H2,1-2H3