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

Systemtic Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-methyl-2-nitro-aniline Openeye Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-methyl-2-nitro-aniline CAS Name: 5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-N-methyl-2-nitroaniline IUPAC Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-methyl-2-nitroaniline Traditional Name: [5-(4-brosylpiperazino)-2-nitro-phenyl]-methyl-amine Formula: C17H19BrN4O4S MolecularWeight: 455.32616

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H19BrN4O4S/c1-19-16-12-14(4-7-17(16)22(23)24)20-8-10-21(11-9-20)27(25,26)15-5-2-13(18)3-6-15/h2-7,12,19H,8-11H2,1H3