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

Systemtic Name: 4-methyl-N-[(2S,3R)-4-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]benzenesulfonamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S,3R)-3-hydroxy-4-[4-[(4-nitrophenyl)methyl]-1-piperazinyl]-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S,3R)-3-hydroxy-4-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[4-(4-nitrobenzyl)piperazino]propyl]-4-methyl-benzenesulfonamide Formula: C28H34N4O5S MolecularWeight: 538.65836

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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)[O-])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)[O-])O

InChI

InChI=1S/C28H34N4O5S/c1-22-7-13-26(14-8-22)38(36,37)29-27(19-23-5-3-2-4-6-23)28(33)21-31-17-15-30(16-18-31)20-24-9-11-25(12-10-24)32(34)35/h2-14,27-29,33H,15-21H2,1H3/t27-,28+/m0/s1