N-[(2S,3R)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S,3R)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-benzyl-2-hydroxy-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S,3R)-4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-hydroxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S,3R)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(4-piperonylpiperazino)propyl]-4-methyl-benzenesulfonamide Formula: C29H35N3O5S MolecularWeight: 537.6703

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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=CC5=C(C=C4)OCO5)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C29H35N3O5S/c1-22-7-10-25(11-8-22)38(34,35)30-26(17-23-5-3-2-4-6-23)27(33)20-32-15-13-31(14-16-32)19-24-9-12-28-29(18-24)37-21-36-28/h2-12,18,26-27,30,33H,13-17,19-21H2,1H3/t26-,27+/m0/s1