[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: (3-nitro-4-pyrrolidin-1-yl-phenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: (3-nitro-4-pyrrolidino-phenyl)-(4-tosylpiperazino)methanone Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S/c1-17-4-7-19(8-5-17)32(30,31)25-14-12-24(13-15-25)22(27)18-6-9-20(21(16-18)26(28)29)23-10-2-3-11-23/h4-9,16H,2-3,10-15H2,1H3