methyl 2-[[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[4-[(2-ethyl-1-piperidyl)sulfonyl]benzoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-ethylpiperidin-1-yl)sulfonylbenzoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[4-(2-ethylpiperidino)sulfonylbenzoyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H25N3O5S2/c1-3-17-6-4-5-13-26(17)33(29,30)18-10-7-15(8-11-18)21(27)25-23-24-19-12-9-16(22(28)31-2)14-20(19)32-23/h7-12,14,17H,3-6,13H2,1-2H3,(H,24,25,27)