2-[(2-oxidanylcyclopentyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanyl-benzamide

Systemtic Name: 2-[(2-oxidanylcyclopentyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanyl-benzamide Openeye Name: 2-[(2-hydroxycyclopentyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanyl-benzamide CAS Name: 2-[(2-hydroxycyclopentyl)amino]-4-[(3,4,5-trimethoxyphenyl)thio]benzamide IUPAC Name: 2-[(2-hydroxycyclopentyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanylbenzamide Traditional Name: 2-[(2-hydroxycyclopentyl)amino]-4-[(3,4,5-trimethoxyphenyl)thio]benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=CC(=C(C=C2)C(=O)N)NC3CCCC3O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=CC(=C(C=C2)C(=O)N)NC3CCCC3O

InChI

InChI=1S/C21H26N2O5S/c1-26-18-10-13(11-19(27-2)20(18)28-3)29-12-7-8-14(21(22)25)16(9-12)23-15-5-4-6-17(15)24/h7-11,15,17,23-24H,4-6H2,1-3H3,(H2,22,25)