3-[(4-methoxyphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[(4-methoxyphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(4-methoxyphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4-methoxyphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[(4-methoxyphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propionamide Formula: C18H19N3O6S3 MolecularWeight: 469.55496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H19N3O6S3/c1-27-12-3-5-13(6-4-12)30(25,26)19-10-9-17(22)21-18-20-15-8-7-14(29(2,23)24)11-16(15)28-18/h3-8,11,19H,9-10H2,1-2H3,(H,20,21,22)