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

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(brosylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C17H16BrN3O3S2 MolecularWeight: 454.36124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3O3S2/c1-11-2-7-14-15(10-11)25-17(20-14)21-16(22)8-9-19-26(23,24)13-5-3-12(18)4-6-13/h2-7,10,19H,8-9H2,1H3,(H,20,21,22)