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

Systemtic Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-nitro-aniline Openeye Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-nitro-aniline CAS Name: 5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-N-cyclopropyl-2-nitroaniline IUPAC Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-nitroaniline Traditional Name: [5-(4-brosylpiperazino)-2-nitro-phenyl]-cyclopropyl-amine Formula: C19H21BrN4O4S MolecularWeight: 481.36344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H21BrN4O4S/c20-14-1-6-17(7-2-14)29(27,28)23-11-9-22(10-12-23)16-5-8-19(24(25)26)18(13-16)21-15-3-4-15/h1-2,5-8,13,15,21H,3-4,9-12H2