4-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

Systemtic Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide Openeye Name: 4-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide CAS Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-N-[[(2R)-2-oxolanyl]methyl]benzenesulfonamide IUPAC Name: 4-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide Traditional Name: 4-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C18H27N3O4S/c1-20-9-3-10-21(12-11-20)18(22)15-5-7-17(8-6-15)26(23,24)19-14-16-4-2-13-25-16/h5-8,16,19H,2-4,9-14H2,1H3/p+1/t16-/m1/s1