N-(2-methyl-5-nitro-phenyl)-3-[4-(phenylsulfonyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-[4-(phenylsulfonyl)piperazin-1-yl]propanamide Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[4-(benzenesulfonyl)-1-piperazinyl]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-(4-besylpiperazino)-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O5S/c1-16-7-8-17(24(26)27)15-19(16)21-20(25)9-10-22-11-13-23(14-12-22)30(28,29)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,21,25)