N-[4-(4-cyclopropylcarbonylpiperazin-1-yl)carbonylphenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(4-cyclopropylcarbonylpiperazin-1-yl)carbonylphenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-nitro-benzenesulfonamide Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S/c26-20(15-4-5-15)23-10-12-24(13-11-23)21(27)16-6-8-17(9-7-16)22-32(30,31)19-3-1-2-18(14-19)25(28)29/h1-3,6-9,14-15,22H,4-5,10-13H2