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

Systemtic Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline Openeye Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline CAS Name: 5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-2-nitro-N-(1-phenylethyl)aniline IUPAC Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline Traditional Name: [5-(4-brosylpiperazino)-2-nitro-phenyl]-(1-phenylethyl)amine Formula: C24H25BrN4O4S MolecularWeight: 545.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=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(C1=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/C24H25BrN4O4S/c1-18(19-5-3-2-4-6-19)26-23-17-21(9-12-24(23)29(30)31)27-13-15-28(16-14-27)34(32,33)22-10-7-20(25)8-11-22/h2-12,17-18,26H,13-16H2,1H3