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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propanamide CAS Name: N-(2-methyl-4-nitrophenyl)-3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(2-methyl-4-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=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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