methyl 3-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C24H28N4O7S3 MolecularWeight: 580.69672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N4O7S3/c1-35-22(29)12-15-28-20-11-10-19(37(25,31)32)16-21(20)36-24(28)26-23(30)17-6-8-18(9-7-17)38(33,34)27-13-4-2-3-5-14-27/h6-11,16H,2-5,12-15H2,1H3,(H2,25,31,32)