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

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-piperonyl-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)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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