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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CN2C3=C(C=CC(=C3)NC(=O)CC4CCCC4)N=N2)C(=O)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1CN2C3=C(C=CC(=C3)NC(=O)CC4CCCC4)N=N2)C(=O)NS(=O)(=O)C5=CC=CC=C5

InChI

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