4-[[6-(2-cyclopentylethanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-N-(phenylsulfonyl)benzamide

Systemtic Name: 4-[[6-(2-cyclopentylethanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-N-(phenylsulfonyl)benzamide Openeye Name: N-(benzenesulfonyl)-4-[[6-[(2-cyclopentylacetyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzamide CAS Name: N-(benzenesulfonyl)-4-[[6-[(2-cyclopentyl-1-oxoethyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxybenzamide IUPAC Name: N-(benzenesulfonyl)-4-[[6-[(2-cyclopentylacetyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxybenzamide Traditional Name: N-besyl-4-[[6-[(2-cyclopentylacetyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzamide Formula: C30H33N3O6S MolecularWeight: 563.66452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)CN3CCOC4=C3C=C(C=C4)NC(=O)CC5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)CN3CCOC4=C3C=C(C=C4)NC(=O)CC5CCCC5

InChI

InChI=1S/C30H33N3O6S/c1-38-28-18-22(30(35)32-40(36,37)25-9-3-2-4-10-25)11-12-23(28)20-33-15-16-39-27-14-13-24(19-26(27)33)31-29(34)17-21-7-5-6-8-21/h2-4,9-14,18-19,21H,5-8,15-17,20H2,1H3,(H,31,34)(H,32,35)