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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-3-(4-tosylpiperazino)propionamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-16-6-8-18(9-7-16)31(29,30)24-14-12-23(13-15-24)11-10-21(26)22-19-4-3-5-20(17(19)2)25(27)28/h3-9H,10-15H2,1-2H3,(H,22,26)