3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-N-(4-nitrophenyl)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=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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