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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonylamino)propanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-(4-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(C=CC=C3S2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NC3=C(C=CC=C3S2)C

InChI

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