N-(2-chloranyl-4-nitro-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-(4-tosylpiperazino)propionamide Formula: C20H23ClN4O5S MolecularWeight: 466.93842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

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