1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-2-phenyl-butan-1-one Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-3-18(16-7-5-4-6-8-16)21(25)22-11-13-23(14-12-22)31(28,29)17-9-10-20(30-2)19(15-17)24(26)27/h4-10,15,18H,3,11-14H2,1-2H3