N-cyclopropyl-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline

Systemtic Name: N-cyclopropyl-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropyl-2-nitro-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-N-cyclopropyl-2-nitroaniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropyl-2-nitroaniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-cyclopropyl-amine Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4S/c24-23(25)19-9-8-16(14-18(19)20-15-6-7-15)21-10-12-22(13-11-21)28(26,27)17-4-2-1-3-5-17/h1-5,8-9,14-15,20H,6-7,10-13H2