2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[4-(4-chlorophenyl)sulfonylpiperazino]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C19H21ClN4O5S MolecularWeight: 452.91184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN4O5S/c1-14-3-2-4-17(24(26)27)19(14)21-18(25)13-22-9-11-23(12-10-22)30(28,29)16-7-5-15(20)6-8-16/h2-8H,9-13H2,1H3,(H,21,25)