2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(4-fluorophenyl)amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(4-fluorophenyl)amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoro-anilino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoro-anilino]-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C27H28FN3O8S2 MolecularWeight: 605.654923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H28FN3O8S2/c1-37-24-10-8-21(40(33,34)30-12-2-3-13-30)16-23(24)29-27(32)18-31(20-6-4-19(28)5-7-20)41(35,36)22-9-11-25-26(17-22)39-15-14-38-25/h4-11,16-17H,2-3,12-15,18H2,1H3,(H,29,32)