ethyl 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-[(2-ethyl-1-piperidyl)sulfonyl]benzoyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-ethylpiperidin-1-yl)sulfonylbenzoyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(2-ethylpiperidino)sulfonylbenzoyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C27H33N3O6S2 MolecularWeight: 559.69742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OCC)CCOC

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OCC)CCOC

InChI

InChI=1S/C27H33N3O6S2/c1-4-21-8-6-7-15-30(21)38(33,34)22-12-9-19(10-13-22)25(31)28-27-29(16-17-35-3)23-14-11-20(18-24(23)37-27)26(32)36-5-2/h9-14,18,21H,4-8,15-17H2,1-3H3