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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonylamino)propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(tosylamino)propionamide Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S2/c1-12-3-6-14(7-4-12)26(23,24)19-10-9-17(22)21-18-20-15-8-5-13(2)11-16(15)25-18/h3-8,11,19H,9-10H2,1-2H3,(H,20,21,22)