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

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-benzylsulfonyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propanamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-benzylsulfonyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propionamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S2/c1-2-21-11-6-12-22-24(21)27-25(32-22)28(17-20-10-7-14-26-16-20)23(29)13-15-33(30,31)18-19-8-4-3-5-9-19/h3-12,14,16H,2,13,15,17-18H2,1H3