N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-benzylsulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-benzylsulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-benzylsulfonyl-N-(6-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=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

InChI

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