2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-nitrophenyl)propanamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-N-(2-nitrophenyl)propionamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-15-8-9-16(2)20(14-15)31(29,30)24-12-10-23(11-13-24)17(3)21(26)22-18-6-4-5-7-19(18)25(27)28/h4-9,14,17H,10-13H2,1-3H3,(H,22,26)