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

Systemtic Name: methyl 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H31N3O6S2 MolecularWeight: 545.67084

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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)OC)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O6S2/c1-4-20-7-5-6-14-29(20)37(32,33)21-11-8-18(9-12-21)24(30)27-26-28(15-16-34-2)22-13-10-19(25(31)35-3)17-23(22)36-26/h8-13,17,20H,4-7,14-16H2,1-3H3