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

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H29N3O6S/c1-30-20-9-7-18(33(28,29)26-10-4-2-3-5-11-26)15-19(20)24-16-23(27)25-17-6-8-21-22(14-17)32-13-12-31-21/h6-9,14-15,24H,2-5,10-13,16H2,1H3,(H,25,27)