N-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(3-nitrophenyl)methanesulfonamide

Systemtic Name: N-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(3-nitrophenyl)methanesulfonamide Openeye Name: N-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-N-(3-nitrophenyl)methanesulfonamide CAS Name: N-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide IUPAC Name: N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide Traditional Name: N-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]-N-(3-nitrophenyl)methanesulfonamide Formula: C20H23ClN4O5S MolecularWeight: 466.93842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O5S/c1-15-6-7-16(21)12-19(15)22-8-10-23(11-9-22)20(26)14-24(31(2,29)30)17-4-3-5-18(13-17)25(27)28/h3-7,12-13H,8-11,14H2,1-2H3