1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-phenyl-butan-1-one

Systemtic Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-phenyl-butan-1-one Openeye Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-phenyl-butan-1-one CAS Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-3-phenyl-1-butanone IUPAC Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-3-phenylbutan-1-one Traditional Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-3-phenyl-butan-1-one Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-16-8-9-19(24(26)27)15-20(16)30(28,29)23-12-10-22(11-13-23)21(25)14-17(2)18-6-4-3-5-7-18/h3-9,15,17H,10-14H2,1-2H3