N-[[6-(2-cyclopentylethanoylamino)benzotriazol-1-yl]methyl]-3-methoxy-N-(phenylsulfonyl)benzamide

Systemtic Name: N-[[6-(2-cyclopentylethanoylamino)benzotriazol-1-yl]methyl]-3-methoxy-N-(phenylsulfonyl)benzamide Openeye Name: N-(benzenesulfonyl)-N-[[6-[(2-cyclopentylacetyl)amino]benzotriazol-1-yl]methyl]-3-methoxy-benzamide CAS Name: N-(benzenesulfonyl)-N-[[6-[(2-cyclopentyl-1-oxoethyl)amino]-1-benzotriazolyl]methyl]-3-methoxybenzamide IUPAC Name: N-(benzenesulfonyl)-N-[[6-[(2-cyclopentylacetyl)amino]benzotriazol-1-yl]methyl]-3-methoxybenzamide Traditional Name: N-besyl-N-[[6-[(2-cyclopentylacetyl)amino]benzotriazol-1-yl]methyl]-3-methoxy-benzamide Formula: C28H29N5O5S MolecularWeight: 547.62536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N(CN2C3=C(C=CC(=C3)NC(=O)CC4CCCC4)N=N2)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N(CN2C3=C(C=CC(=C3)NC(=O)CC4CCCC4)N=N2)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O5S/c1-38-23-11-7-10-21(17-23)28(35)33(39(36,37)24-12-3-2-4-13-24)19-32-26-18-22(14-15-25(26)30-31-32)29-27(34)16-20-8-5-6-9-20/h2-4,7,10-15,17-18,20H,5-6,8-9,16,19H2,1H3,(H,29,34)