5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-piperonyl-benzamide Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-28-19-9-7-17(31(26,27)24-10-4-2-3-5-11-24)13-18(19)22(25)23-14-16-6-8-20-21(12-16)30-15-29-20/h6-9,12-13H,2-5,10-11,14-15H2,1H3,(H,23,25)