N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)cyclopentane-1-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)cyclopentane-1-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide CAS Name: 1-(benzenesulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-cyclopentanecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide Traditional Name: 1-besyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3(CCCC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3(CCCC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H22N2O3S2/c1-14-12-15(2)18-17(13-14)27-20(22-18)23-19(24)21(10-6-7-11-21)28(25,26)16-8-4-3-5-9-16/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,22,23,24)