4-methyl-N-[(2S,3R)-3-oxidanyl-1-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(2S,3R)-3-oxidanyl-1-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]benzenesulfonamide Openeye Name: N-[(1S,2R)-1-benzyl-3-(4-benzylpiperazin-1-yl)-2-hydroxy-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S,3R)-3-hydroxy-1-phenyl-4-[4-(phenylmethyl)-1-piperazinyl]butan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2R)-1-benzyl-3-(4-benzylpiperazino)-2-hydroxy-propyl]-4-methyl-benzenesulfonamide Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(CN3CCN(CC3)CC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN3CCN(CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C28H35N3O3S/c1-23-12-14-26(15-13-23)35(33,34)29-27(20-24-8-4-2-5-9-24)28(32)22-31-18-16-30(17-19-31)21-25-10-6-3-7-11-25/h2-15,27-29,32H,16-22H2,1H3/t27-,28+/m0/s1