1-[4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazino]phenyl]ethanone Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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