N-(4-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-benzylsulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-benzylsulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propionamide Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

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