N-(3-indol-1-ylpropyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(3-indol-1-ylpropyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(3-indol-1-ylpropyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[3-(1-indolyl)propyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(3-indol-1-ylpropyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: 3-indol-1-ylpropyl-(4-mesyl-2-nitro-phenyl)amine Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCCN2C=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCCN2C=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-26(24,25)15-7-8-16(18(13-15)21(22)23)19-10-4-11-20-12-9-14-5-2-3-6-17(14)20/h2-3,5-9,12-13,19H,4,10-11H2,1H3