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

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-(methylsulfonylmethyl)benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-(methylsulfonylmethyl)benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-(methylsulfonylmethyl)benzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-(methylsulfonylmethyl)benzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-(mesylmethyl)benzamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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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)CS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c1-3-4-5-14-8-11-17-18(12-14)26-20(21-17)22-19(23)16-9-6-15(7-10-16)13-27(2,24)25/h6-12H,3-5,13H2,1-2H3,(H,21,22,23)