N-(2-chlorophenyl)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(2-chlorophenyl)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(2-chlorophenyl)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(2-chlorophenyl)-3-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(2-chlorophenyl)-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(2-chlorophenyl)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propionamide Formula: C20H23ClN4O5S MolecularWeight: 466.93842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN4O5S/c1-15-6-7-16(25(27)28)14-19(15)31(29,30)24-12-10-23(11-13-24)9-8-20(26)22-18-5-3-2-4-17(18)21/h2-7,14H,8-13H2,1H3,(H,22,26)