1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)sulfonyl-ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(4-methoxyphenyl)sulfonyl-ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(4-methoxyphenyl)sulfonylethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)sulfonylethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-(4-methoxyphenyl)sulfonyl-ethanone Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O4S2/c1-27-16-6-8-17(9-7-16)29(25,26)14-20(24)23-12-10-15(11-13-23)21-22-18-4-2-3-5-19(18)28-21/h2-9,15H,10-14H2,1H3