methyl 3-[4,7-dimethoxy-2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[4,7-dimethoxy-2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-[4-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-[4-(2-methylpiperidino)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C26H31N3O7S2 MolecularWeight: 561.67024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(C=CC(=C4S3)OC)OC)CCC(=O)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(C=CC(=C4S3)OC)OC)CCC(=O)OC

InChI

InChI=1S/C26H31N3O7S2/c1-17-7-5-6-15-29(17)38(32,33)19-10-8-18(9-11-19)25(31)27-26-28(16-14-22(30)36-4)23-20(34-2)12-13-21(35-3)24(23)37-26/h8-13,17H,5-7,14-16H2,1-4H3