ethyl 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[1-(4-chlorophenyl)sulfonylisonipecotoyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H30ClN3O6S2 MolecularWeight: 580.1159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H30ClN3O6S2/c1-3-35-16-15-30-22-10-5-19(25(32)36-4-2)17-23(22)37-26(30)28-24(31)18-11-13-29(14-12-18)38(33,34)21-8-6-20(27)7-9-21/h5-10,17-18H,3-4,11-16H2,1-2H3