methyl 2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)CCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)CCCC4

InChI

InChI=1S/C21H25N3O5S2/c1-29-20(26)15-6-2-5-9-18(15)31(27,28)24-12-10-14(11-13-24)19(25)23-21-22-16-7-3-4-8-17(16)30-21/h2,5-6,9,14H,3-4,7-8,10-13H2,1H3,(H,22,23,25)