[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 3,5-bis(p-phenetylsulfonylamino)benzoic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C30H35N3O9S2 MolecularWeight: 645.7436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OCC(=O)NC3CCCC3)NS(=O)(=O)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OCC(=O)NC3CCCC3)NS(=O)(=O)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C30H35N3O9S2/c1-3-40-25-9-13-27(14-10-25)43(36,37)32-23-17-21(30(35)42-20-29(34)31-22-7-5-6-8-22)18-24(19-23)33-44(38,39)28-15-11-26(12-16-28)41-4-2/h9-19,22,32-33H,3-8,20H2,1-2H3,(H,31,34)