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

Systemtic Name: 3-azanyl-N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-2-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-benzamide Openeye Name: 3-amino-N-[1-benzyl-3-[2,3-dihydrobenzofuran-5-ylsulfonyl(isobutyl)amino]-1-hydroxy-propyl]-2-methyl-benzamide CAS Name: 3-amino-N-[4-[2,3-dihydrobenzofuran-5-ylsulfonyl(2-methylpropyl)amino]-2-hydroxy-1-phenylbutan-2-yl]-2-methylbenzamide IUPAC Name: 3-amino-N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-2-hydroxy-1-phenylbutan-2-yl]-2-methylbenzamide Traditional Name: 3-amino-N-[1-benzyl-3-[coumaran-5-ylsulfonyl(isobutyl)amino]-1-hydroxy-propyl]-2-methyl-benzamide Formula: C30H37N3O5S MolecularWeight: 551.69688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)C(=O)NC(CCN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OCC3)(CC4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC=C1N)C(=O)NC(CCN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OCC3)(CC4=CC=CC=C4)O

InChI

InChI=1S/C30H37N3O5S/c1-21(2)20-33(39(36,37)25-12-13-28-24(18-25)14-17-38-28)16-15-30(35,19-23-8-5-4-6-9-23)32-29(34)26-10-7-11-27(31)22(26)3/h4-13,18,21,35H,14-17,19-20,31H2,1-3H3,(H,32,34)