N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-benzylsulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-benzylsulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butyramide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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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)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S2/c1-2-20-12-13-23-24(16-20)33-26(28-23)29(18-22-10-6-14-27-17-22)25(30)11-7-15-34(31,32)19-21-8-4-3-5-9-21/h3-6,8-10,12-14,16-17H,2,7,11,15,18-19H2,1H3