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

Systemtic Name: 4-[[6-(2-cyclopentylethanoylamino)benzotriazol-1-yl]methyl]-3-methoxy-N-(phenylsulfonyl)benzamide Openeye Name: N-(benzenesulfonyl)-4-[[6-[(2-cyclopentylacetyl)amino]benzotriazol-1-yl]methyl]-3-methoxy-benzamide CAS Name: N-(benzenesulfonyl)-4-[[6-[(2-cyclopentyl-1-oxoethyl)amino]-1-benzotriazolyl]methyl]-3-methoxybenzamide IUPAC Name: N-(benzenesulfonyl)-4-[[6-[(2-cyclopentylacetyl)amino]benzotriazol-1-yl]methyl]-3-methoxybenzamide Traditional Name: N-besyl-4-[[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=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)CN3C4=C(C=CC(=C4)NC(=O)CC5CCCC5)N=N3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)CN3C4=C(C=CC(=C4)NC(=O)CC5CCCC5)N=N3

InChI

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