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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)cyclopentane-1-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide CAS Name: 1-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-cyclopentanecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide Traditional Name: 1-besyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3(CCCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3(CCCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O4S2/c1-2-27-15-10-11-17-18(14-15)28-20(22-17)23-19(24)21(12-6-7-13-21)29(25,26)16-8-4-3-5-9-16/h3-5,8-11,14H,2,6-7,12-13H2,1H3,(H,22,23,24)