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

Systemtic Name: 3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)propanamide Openeye Name: 3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)propanamide CAS Name: 3-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-N-(1-phenylethyl)propanamide IUPAC Name: 3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)propanamide Traditional Name: 3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-N-(1-phenylethyl)propionamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c1-17-8-9-20(26(28)29)16-21(17)32(30,31)25-14-12-24(13-15-25)11-10-22(27)23-18(2)19-6-4-3-5-7-19/h3-9,16,18H,10-15H2,1-2H3,(H,23,27)