N-(6-butyl-1,3-benzothiazol-2-yl)-4-chloranyl-3-methylsulfonyl-benzamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-chloranyl-3-methylsulfonyl-benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-chloro-3-methylsulfonyl-benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-chloro-3-methylsulfonylbenzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-chloro-3-methylsulfonylbenzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-chloro-3-mesyl-benzamide Formula: C19H19ClN2O3S2 MolecularWeight: 422.94876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H19ClN2O3S2/c1-3-4-5-12-6-9-15-16(10-12)26-19(21-15)22-18(23)13-7-8-14(20)17(11-13)27(2,24)25/h6-11H,3-5H2,1-2H3,(H,21,22,23)