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

Systemtic Name: methyl 3-[4,7-dimethoxy-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[[4-[(4-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-(4-methylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-[4-(4-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:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(C=CC(=C4S3)OC)OC)CCC(=O)OC

Isomeric SMILES

CC1CCN(CC1)S(=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/c1-17-11-14-28(15-12-17)38(32,33)19-7-5-18(6-8-19)25(31)27-26-29(16-13-22(30)36-4)23-20(34-2)9-10-21(35-3)24(23)37-26/h5-10,17H,11-16H2,1-4H3