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

Systemtic Name: 4-[[6-(2-cyclopentylethanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonyl-benzamide Openeye Name: 4-[[6-[(2-cyclopentylacetyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-N-(o-tolylsulfonyl)benzamide CAS Name: 4-[[6-[(2-cyclopentyl-1-oxoethyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide IUPAC Name: 4-[[6-[(2-cyclopentylacetyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide Traditional Name: 4-[[6-[(2-cyclopentylacetyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-N-(o-tolylsulfonyl)benzamide Formula: C31H35N3O6S MolecularWeight: 577.6911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CN3CCOC4=C3C=C(C=C4)NC(=O)CC5CCCC5)OC

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CN3CCOC4=C3C=C(C=C4)NC(=O)CC5CCCC5)OC

InChI

InChI=1S/C31H35N3O6S/c1-21-7-3-6-10-29(21)41(37,38)33-31(36)23-11-12-24(28(18-23)39-2)20-34-15-16-40-27-14-13-25(19-26(27)34)32-30(35)17-22-8-4-5-9-22/h3,6-7,10-14,18-19,22H,4-5,8-9,15-17,20H2,1-2H3,(H,32,35)(H,33,36)