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

Systemtic Name: N-[(2S,3R)-4-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2R)-3-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-1-benzyl-2-hydroxy-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S,3R)-4-[4-[(4-aminophenyl)methyl]-1-piperazinyl]-3-hydroxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S,3R)-4-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2R)-3-[4-(4-aminobenzyl)piperazino]-1-benzyl-2-hydroxy-propyl]-4-methyl-benzenesulfonamide Formula: C28H36N4O3S MolecularWeight: 508.67544

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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=C(C=C4)N)O

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O3S/c1-22-7-13-26(14-8-22)36(34,35)30-27(19-23-5-3-2-4-6-23)28(33)21-32-17-15-31(16-18-32)20-24-9-11-25(29)12-10-24/h2-14,27-28,30,33H,15-21,29H2,1H3/t27-,28+/m0/s1