2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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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)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O6S/c1-29-19-9-7-17(32(27,28)25-10-4-2-3-5-11-25)13-18(19)23-14-22(26)24-16-6-8-20-21(12-16)31-15-30-20/h6-9,12-13,23H,2-5,10-11,14-15H2,1H3,(H,24,26)