N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O3S2/c1-2-20-11-6-12-21-23(20)26-24(31-21)27(15-19-10-7-13-25-14-19)22(28)17-32(29,30)16-18-8-4-3-5-9-18/h3-14H,2,15-17H2,1H3