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

Systemtic Name: N-(2-dimethylaminoethyl)-4-[2-(1H-indol-3-yl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[2-(1H-indol-3-yl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[2-(1H-indol-3-yl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[2-(1H-indol-3-yl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[2-(1H-indol-3-yl)ethylamino]-3-nitro-benzenesulfonamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4S/c1-24(2)12-11-23-30(28,29)16-7-8-19(20(13-16)25(26)27)21-10-9-15-14-22-18-6-4-3-5-17(15)18/h3-8,13-14,21-23H,9-12H2,1-2H3