ethyl 2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(1-besylnipecotoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

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