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

Systemtic Name: (2S)-N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(5-chloro-2-methoxy-phenyl)propanamide CAS Name: (2S)-N-(5-chloro-2-methoxyphenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)propanamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazino)-N-(5-chloro-2-methoxy-phenyl)propionamide Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O4S/c1-16(21(26)23-19-14-18(22)8-9-20(19)29-2)24-10-12-25(13-11-24)30(27,28)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)/t16-/m0/s1