N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propionamide Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O3S2/c1-18-10-11-21-22(15-18)31-24(26-21)27(16-20-9-5-6-13-25-20)23(28)12-14-32(29,30)17-19-7-3-2-4-8-19/h2-11,13,15H,12,14,16-17H2,1H3