(4-nitrophenyl)methyl N-[1-[(3R)-3-(hydroxymethyl)-4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidin-4-yl]-N-propyl-carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[1-[(3R)-3-(hydroxymethyl)-4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidin-4-yl]-N-propyl-carbamate Openeye Name: (4-nitrophenyl)methyl N-[1-[(3R)-3-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxy-3-phenyl-butyl]-4-piperidyl]-N-propyl-carbamate CAS Name: N-[1-[(3R)-3-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxy-3-phenylbutyl]-4-piperidinyl]-N-propylcarbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[1-[(3R)-3-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxy-3-phenylbutyl]piperidin-4-yl]-N-propylcarbamate Traditional Name: N-[1-[(3R)-3-[[besyl(methyl)amino]methyl]-4-hydroxy-3-phenyl-butyl]-4-piperidyl]-N-propyl-carbamic acid (4-nitrobenzyl) ester Formula: C34H44N4O7S MolecularWeight: 652.80076

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCN(CC1)CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)(CO)C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN(C1CCN(CC1)CC[C@@](CN(C)S(=O)(=O)C2=CC=CC=C2)(CO)C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C34H44N4O7S/c1-3-21-37(33(40)45-25-28-14-16-31(17-15-28)38(41)42)30-18-22-36(23-19-30)24-20-34(27-39,29-10-6-4-7-11-29)26-35(2)46(43,44)32-12-8-5-9-13-32/h4-17,30,39H,3,18-27H2,1-2H3/t34-/m1/s1