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

Systemtic Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: [2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C28H30N4O5S MolecularWeight: 534.6266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H30N4O5S/c1-37-21-11-9-20(10-12-21)24(25-19-29-26-8-4-3-7-23(25)26)18-30-27-14-13-22(17-28(27)32(33)34)38(35,36)31-15-5-2-6-16-31/h3-4,7-14,17,19,24,29-30H,2,5-6,15-16,18H2,1H3