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

Systemtic Name: methyl 3-[2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[4-[(3-methyl-1-piperidyl)sulfonyl]benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(3-methylpiperidino)sulfonylbenzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C24H28N4O7S3 MolecularWeight: 580.69672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(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

Isomeric SMILES

CC1CCCN(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

InChI

InChI=1S/C24H28N4O7S3/c1-16-4-3-12-27(15-16)38(33,34)18-7-5-17(6-8-18)23(30)26-24-28(13-11-22(29)35-2)20-10-9-19(37(25,31)32)14-21(20)36-24/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H2,25,31,32)