2-(4-methylphenyl)carbonyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 2-(4-methylphenyl)carbonyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-(4-methylbenzoyl)-N-[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]benzamide CAS Name: 2-[(4-methylphenyl)-oxomethyl]-N-[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 2-(4-methylbenzoyl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)-2-p-toluoyl-benzamide Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C27H25N3O4S2/c1-18-9-11-19(12-10-18)25(31)21-7-3-4-8-22(21)26(32)29-27-28-23-14-13-20(17-24(23)35-27)36(33,34)30-15-5-2-6-16-30/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,28,29,32)