ethyl 4-[3-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[3-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[3-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[3-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]piperidino]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25ClN4O5S2 MolecularWeight: 525.0407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)C)C

InChI

InChI=1S/C22H25ClN4O5S2/c1-4-32-21(29)18-12(2)24-13(3)19(18)34(30,31)27-9-5-6-14(11-27)20(28)26-22-25-16-8-7-15(23)10-17(16)33-22/h7-8,10,14,24H,4-6,9,11H2,1-3H3,(H,25,26,28)