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

Systemtic Name: 2-(4-methylphenyl)carbonyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-(4-methylbenzoyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-[(4-methylphenyl)-oxomethyl]-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 2-(4-methylbenzoyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-p-toluoyl-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)benzamide Formula: C26H23N3O4S2 MolecularWeight: 505.60852

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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)N5CCCC5

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)N5CCCC5

InChI

InChI=1S/C26H23N3O4S2/c1-17-8-10-18(11-9-17)24(30)20-6-2-3-7-21(20)25(31)28-26-27-22-13-12-19(16-23(22)34-26)35(32,33)29-14-4-5-15-29/h2-3,6-13,16H,4-5,14-15H2,1H3,(H,27,28,31)