N-[[(3S)-1-[2-(azepan-1-ium-1-yl)ethanoyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide

Systemtic Name: N-[[(3S)-1-[2-(azepan-1-ium-1-yl)ethanoyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide Openeye Name: N-[[(3S)-1-[2-(azepan-1-ium-1-yl)acetyl]-3-piperidyl]methyl]thiophene-2-sulfonamide CAS Name: N-[[(3S)-1-[2-(1-azepan-1-iumyl)-1-oxoethyl]-3-piperidinyl]methyl]-2-thiophenesulfonamide IUPAC Name: N-[[(3S)-1-[2-(azepan-1-ium-1-yl)acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide Traditional Name: N-[[(3S)-1-[2-(azepan-1-ium-1-yl)acetyl]-3-piperidyl]methyl]thiophene-2-sulfonamide Formula: C18H30N3O3S2+ MolecularWeight: 400.5791

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H29N3O3S2/c22-17(15-20-9-3-1-2-4-10-20)21-11-5-7-16(14-21)13-19-26(23,24)18-8-6-12-25-18/h6,8,12,16,19H,1-5,7,9-11,13-15H2/p+1/t16-/m1/s1