5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(4-phenylbutan-2-yl)aniline

Systemtic Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(4-phenylbutan-2-yl)aniline Openeye Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(1-methyl-3-phenyl-propyl)-2-nitro-aniline CAS Name: 5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-2-nitro-N-(4-phenylbutan-2-yl)aniline IUPAC Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(4-phenylbutan-2-yl)aniline Traditional Name: [5-(4-brosylpiperazino)-2-nitro-phenyl]-(1-methyl-3-phenyl-propyl)amine Formula: C26H29BrN4O4S MolecularWeight: 573.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C26H29BrN4O4S/c1-20(7-8-21-5-3-2-4-6-21)28-25-19-23(11-14-26(25)31(32)33)29-15-17-30(18-16-29)36(34,35)24-12-9-22(27)10-13-24/h2-6,9-14,19-20,28H,7-8,15-18H2,1H3