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

Systemtic Name: pyridin-3-ylmethyl N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N-methyl-carbamate Openeye Name: 3-pyridylmethyl N-[1-benzyl-3-[2,3-dihydrobenzofuran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-N-methyl-carbamate CAS Name: N-[4-[2,3-dihydrobenzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N-methylcarbamic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N-methylcarbamate Traditional Name: N-[1-benzyl-3-[coumaran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-N-methyl-carbamic acid 3-pyridylmethyl ester Formula: C30H37N3O6S MolecularWeight: 567.69628

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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)OCC4

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)OCC4

InChI

InChI=1S/C30H37N3O6S/c1-22(2)19-33(40(36,37)26-11-12-29-25(17-26)13-15-38-29)20-28(34)27(16-23-8-5-4-6-9-23)32(3)30(35)39-21-24-10-7-14-31-18-24/h4-12,14,17-18,22,27-28,34H,13,15-16,19-21H2,1-3H3