2-(1H-indol-3-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(1H-indol-3-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide Openeye Name: 2-(1H-indol-3-yl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]acetamide CAS Name: 2-(1H-indol-3-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide IUPAC Name: 2-(1H-indol-3-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide Traditional Name: 2-(1H-indol-3-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]acetamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CC2=CNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CC2=CNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-29(27,28)14-6-7-17(18(11-14)23(25)26)20-8-9-21-19(24)10-13-12-22-16-5-3-2-4-15(13)16/h2-7,11-12,20,22H,8-10H2,1H3,(H,21,24)