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

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-benzylsulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-benzylsulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propionamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

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