ethyl 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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