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

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonylamino)propanamide CAS Name: 3-[(4-methylphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(tosylamino)propionamide Formula: C18H19N3O5S3 MolecularWeight: 453.55556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H19N3O5S3/c1-12-3-5-13(6-4-12)29(25,26)19-10-9-17(22)21-18-20-15-8-7-14(28(2,23)24)11-16(15)27-18/h3-8,11,19H,9-10H2,1-2H3,(H,20,21,22)