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

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: N-benzyl-3-benzylsulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: N-benzyl-3-benzylsulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-3-benzylsulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C26H26N2O5S2 MolecularWeight: 510.62504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O5S2/c1-32-21-13-14-22(33-2)25-24(21)27-26(34-25)28(17-19-9-5-3-6-10-19)23(29)15-16-35(30,31)18-20-11-7-4-8-12-20/h3-14H,15-18H2,1-2H3