N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C18H17ClN2O3S2 MolecularWeight: 408.92218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17ClN2O3S2/c1-12-9-10-14(19)17-16(12)21-18(25-17)20-15(22)8-5-11-26(23,24)13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,20,21,22)