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

Systemtic Name: N,N-diethyl-4-[2-(1H-indol-3-yl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(1H-indol-3-yl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(1H-indol-3-yl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-(1H-indol-3-yl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[2-(1H-indol-3-yl)ethylamino]-3-nitro-benzenesulfonamide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCC2=CNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCC2=CNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4S/c1-3-23(4-2)29(27,28)16-9-10-19(20(13-16)24(25)26)21-12-11-15-14-22-18-8-6-5-7-17(15)18/h5-10,13-14,21-22H,3-4,11-12H2,1-2H3