N-(4-chloranyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-3-tosyl-propionamide Formula: C23H20ClN3O3S2 MolecularWeight: 486.0062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C23H20ClN3O3S2/c1-16-8-10-18(11-9-16)32(29,30)14-12-21(28)27(15-17-5-2-3-13-25-17)23-26-22-19(24)6-4-7-20(22)31-23/h2-11,13H,12,14-15H2,1H3