(2S)-N-(3-chloranyl-2-methyl-phenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: (2S)-N-(3-chloranyl-2-methyl-phenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: (2S)-N-(3-chloro-2-methylphenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazino)-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-16-19(22)9-6-10-20(16)23-21(26)17(2)24-11-13-25(14-12-24)29(27,28)15-18-7-4-3-5-8-18/h3-10,17H,11-15H2,1-2H3,(H,23,26)/t17-/m0/s1