methyl 3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(3,5-dimethylpiperidino)sulfonylbenzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C25H30N4O7S3 MolecularWeight: 594.7233

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)N)CCC(=O)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)N)CCC(=O)OC)C

InChI

InChI=1S/C25H30N4O7S3/c1-16-12-17(2)15-28(14-16)39(34,35)19-6-4-18(5-7-19)24(31)27-25-29(11-10-23(30)36-3)21-9-8-20(38(26,32)33)13-22(21)37-25/h4-9,13,16-17H,10-12,14-15H2,1-3H3,(H2,26,32,33)