(2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-N-(p-tolylmethyl)propanamide CAS Name: (2R)-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2R)-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-N-(4-methylbenzyl)propionamide Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@@H](C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S/c1-16-4-6-18(7-5-16)15-23-22(27)17(2)24-10-12-25(13-11-24)33(30,31)19-8-9-21(32-3)20(14-19)26(28)29/h4-9,14,17H,10-13,15H2,1-3H3,(H,23,27)/t17-/m1/s1