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

Systemtic Name: ethyl 4-[4-(1,3-benzothiazol-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(1,3-benzothiazol-2-ylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzothiazol-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(1,3-benzothiazol-2-ylcarbamoyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O5S2/c1-2-30-21(27)16-7-9-17(10-8-16)32(28,29)25-13-11-15(12-14-25)20(26)24-22-23-18-5-3-4-6-19(18)31-22/h3-10,15H,2,11-14H2,1H3,(H,23,24,26)