4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methyl-2-furyl)methyl]benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methyl-2-furanyl)methyl]benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[(5-methyl-2-furyl)methyl]-N-piperonyl-benzenesulfonamide Formula: C26H30N2O7S2 MolecularWeight: 546.6556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=CC=C(O1)CN(CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C26H30N2O7S2/c1-20-6-8-22(35-20)18-28(17-21-7-13-25-26(16-21)34-19-33-25)37(31,32)24-11-9-23(10-12-24)36(29,30)27-14-4-2-3-5-15-27/h6-13,16H,2-5,14-15,17-19H2,1H3