5-[4-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: 5-[4-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-[4-(1-methylsulfonylindolin-5-yl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: 5-[4-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)sulfonyl]-1-piperazinyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-[4-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-2-nitroaniline Traditional Name: benzyl-[5-[4-(1-mesylindolin-5-yl)sulfonylpiperazino]-2-nitro-phenyl]amine Formula: C26H29N5O6S2 MolecularWeight: 571.66836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])NCC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])NCC5=CC=CC=C5

InChI

InChI=1S/C26H29N5O6S2/c1-38(34,35)30-12-11-21-17-23(8-10-25(21)30)39(36,37)29-15-13-28(14-16-29)22-7-9-26(31(32)33)24(18-22)27-19-20-5-3-2-4-6-20/h2-10,17-18,27H,11-16,19H2,1H3