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

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(1H-indol-3-yl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: 2-(1H-indol-3-yl)ethyl-(4-mesyl-2-nitro-phenyl)amine Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-25(23,24)13-6-7-16(17(10-13)20(21)22)18-9-8-12-11-19-15-5-3-2-4-14(12)15/h2-7,10-11,18-19H,8-9H2,1H3