2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(1-isopropylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(1-propan-2-yl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(1-isopropylpiperidin-1-ium-4-yl)acetamide Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H31N3O5S/c1-15(2)23-9-7-16(8-10-23)21-20(24)14-22(3)29(25,26)17-5-6-18-19(13-17)28-12-4-11-27-18/h5-6,13,15-16H,4,7-12,14H2,1-3H3,(H,21,24)/p+1