N-[[(3S)-1-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoyl]piperidin-3-yl]methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[[(3S)-1-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoyl]piperidin-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3S)-1-[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]-3-piperidyl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3S)-1-[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]-3-piperidinyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3S)-1-[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3S)-1-[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]-3-piperidyl]methyl]-4-methoxy-benzenesulfonamide Formula: C21H35N4O4S+ MolecularWeight: 439.592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H34N4O4S/c1-3-23-11-13-24(14-12-23)17-21(26)25-10-4-5-18(16-25)15-22-30(27,28)20-8-6-19(29-2)7-9-20/h6-9,18,22H,3-5,10-17H2,1-2H3/p+1/t18-/m1/s1