1-[4-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[2-(4-chlorophenyl)sulfanyl-5-nitro-benzoyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[2-(4-chlorophenyl)sulfanyl-5-nitrobenzoyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[2-[(4-chlorophenyl)thio]-5-nitro-benzoyl]piperazino]-2-methyl-propan-1-one Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-14(2)20(26)23-9-11-24(12-10-23)21(27)18-13-16(25(28)29)5-8-19(18)30-17-6-3-15(22)4-7-17/h3-8,13-14H,9-12H2,1-2H3