4-ethoxy-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-ethoxy-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxo-propyl]benzenesulfonamide CAS Name: 4-ethoxy-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxopropyl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[3-keto-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]benzenesulfonamide Formula: C17H28N3O4S+ MolecularWeight: 370.48692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCC[NH+](CC2)C

InChI

InChI=1S/C17H27N3O4S/c1-3-24-15-5-7-16(8-6-15)25(22,23)18-10-9-17(21)20-12-4-11-19(2)13-14-20/h5-8,18H,3-4,9-14H2,1-2H3/p+1