N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-benzylsulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-benzylsulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propionamide Formula: C25H25N3O5S2 MolecularWeight: 511.6131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O5S2/c1-32-20-10-11-21(33-2)24-23(20)27-25(34-24)28(16-19-9-6-13-26-15-19)22(29)12-14-35(30,31)17-18-7-4-3-5-8-18/h3-11,13,15H,12,14,16-17H2,1-2H3