N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(3-cyanophenyl)-methylsulfonyl-amino]-N-cyclopentyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(3-cyanophenyl)-methylsulfonyl-amino]-N-cyclopentyl-ethanamide Openeye Name: 2-(3-cyano-N-methylsulfonyl-anilino)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide CAS Name: 2-(3-cyano-N-methylsulfonylanilino)-N-cyclopentyl-N-(1,1-dioxo-3-thiolanyl)acetamide IUPAC Name: 2-(3-cyano-N-methylsulfonylanilino)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide Traditional Name: 2-(3-cyano-N-mesyl-anilino)-N-cyclopentyl-N-(1,1-diketothiolan-3-yl)acetamide Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N(C1CCCC1)C2CCS(=O)(=O)C2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N(C1CCCC1)C2CCS(=O)(=O)C2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H25N3O5S2/c1-28(24,25)21(17-8-4-5-15(11-17)12-20)13-19(23)22(16-6-2-3-7-16)18-9-10-29(26,27)14-18/h4-5,8,11,16,18H,2-3,6-7,9-10,13-14H2,1H3