pyridin-3-ylmethyl N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N-methyl-carbamate

Systemtic Name: pyridin-3-ylmethyl N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N-methyl-carbamate Openeye Name: 3-pyridylmethyl N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-N-methyl-carbamate CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N-methylcarbamic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N-methylcarbamate Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-N-methyl-carbamic acid 3-pyridylmethyl ester Formula: C29H35N3O7S MolecularWeight: 569.6691

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)N(C)C(=O)OCC2=CN=CC=C2)O)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)N(C)C(=O)OCC2=CN=CC=C2)O)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C29H35N3O7S/c1-21(2)17-32(40(35,36)24-11-12-27-28(15-24)39-20-38-27)18-26(33)25(14-22-8-5-4-6-9-22)31(3)29(34)37-19-23-10-7-13-30-16-23/h4-13,15-16,21,25-26,33H,14,17-20H2,1-3H3