2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide Openeye Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(2,3-dimethyl-6-nitrophenyl)propanamide IUPAC Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3-dimethyl-6-nitrophenyl)propanamide Traditional Name: 2-[4-(4-chlorophenyl)sulfonylpiperazino]-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C21H25ClN4O5S MolecularWeight: 480.965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O5S/c1-14-4-9-19(26(28)29)20(15(14)2)23-21(27)16(3)24-10-12-25(13-11-24)32(30,31)18-7-5-17(22)6-8-18/h4-9,16H,10-13H2,1-3H3,(H,23,27)