1-(2,5-dimethylphenyl)sulfonyl-N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]cyclopentane-1-carboxamide

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]cyclopentane-1-carboxamide Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-N-[2-(3-ethynylanilino)-2-oxo-ethyl]cyclopentanecarboxamide CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-N-[2-(3-ethynylanilino)-2-oxoethyl]-1-cyclopentanecarboxamide IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-N-[2-(3-ethynylanilino)-2-oxoethyl]cyclopentane-1-carboxamide Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-N-[2-(3-ethynylanilino)-2-keto-ethyl]cyclopentanecarboxamide Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C24H26N2O4S/c1-4-19-8-7-9-20(15-19)26-22(27)16-25-23(28)24(12-5-6-13-24)31(29,30)21-14-17(2)10-11-18(21)3/h1,7-11,14-15H,5-6,12-13,16H2,2-3H3,(H,25,28)(H,26,27)