N-methyl-N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]thiophene-2-sulfonamide

Systemtic Name: N-methyl-N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]thiophene-2-sulfonamide Openeye Name: N-methyl-N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxo-ethyl]thiophene-2-sulfonamide CAS Name: N-methyl-N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]-2-thiophenesulfonamide IUPAC Name: N-methyl-N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]thiophene-2-sulfonamide Traditional Name: N-[2-keto-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]-N-methyl-thiophene-2-sulfonamide Formula: C13H22N3O3S2+ MolecularWeight: 332.46208

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C13H21N3O3S2/c1-14-6-4-7-16(9-8-14)12(17)11-15(2)21(18,19)13-5-3-10-20-13/h3,5,10H,4,6-9,11H2,1-2H3/p+1