(2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: (2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-chloro-2-methoxy-5-methyl-phenyl)propanamide CAS Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazino)-N-(4-chloro-2-methoxy-5-methyl-phenyl)propionamide Formula: C22H28ClN3O4S MolecularWeight: 465.99342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28ClN3O4S/c1-16-13-20(21(30-3)14-19(16)23)24-22(27)17(2)25-9-11-26(12-10-25)31(28,29)15-18-7-5-4-6-8-18/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,24,27)/t17-/m0/s1