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

Systemtic Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-4-(2-thienyl)butan-1-one Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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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)CCCC3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C19H23N3O5S2/c1-15-7-8-16(22(24)25)14-18(15)29(26,27)21-11-9-20(10-12-21)19(23)6-2-4-17-5-3-13-28-17/h3,5,7-8,13-14H,2,4,6,9-12H2,1H3