N-(3-chloranyl-2-methyl-phenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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