N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(benzenesulfonyl)propanamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(benzenesulfonyl)propanamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(benzenesulfonyl)propanamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-besyl-propionamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4S2/c1-12(22)19-13-7-8-15-16(11-13)26-18(20-15)21-17(23)9-10-27(24,25)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21,23)