N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-[(S)-(4-methoxyphenyl)-phenyl-methyl]acetamide CAS Name: N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazino)-N-[(S)-(4-methoxyphenyl)-phenyl-methyl]acetamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-34-25-14-12-24(13-15-25)27(23-10-6-3-7-11-23)28-26(31)20-29-16-18-30(19-17-29)35(32,33)21-22-8-4-2-5-9-22/h2-15,27H,16-21H2,1H3,(H,28,31)/t27-/m0/s1