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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-besyl-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S2/c1-12-7-8-14-15(11-12)23-17(18-14)19-16(20)9-10-24(21,22)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19,20)