N-[4-[(3S)-3-(piperidin-1-ium-1-ylmethyl)piperidin-1-yl]carbonylphenyl]ethanesulfonamide

Systemtic Name: N-[4-[(3S)-3-(piperidin-1-ium-1-ylmethyl)piperidin-1-yl]carbonylphenyl]ethanesulfonamide Openeye Name: N-[4-[(3S)-3-(piperidin-1-ium-1-ylmethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide CAS Name: N-[4-[oxo-[(3S)-3-(1-piperidin-1-iumylmethyl)-1-piperidinyl]methyl]phenyl]ethanesulfonamide IUPAC Name: N-[4-[(3S)-3-(piperidin-1-ium-1-ylmethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide Traditional Name: N-[4-[(3S)-3-(piperidin-1-ium-1-ylmethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CCCC(C2)C[NH+]3CCCCC3

Isomeric SMILES

CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CCC[C@@H](C2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-2-27(25,26)21-19-10-8-18(9-11-19)20(24)23-14-6-7-17(16-23)15-22-12-4-3-5-13-22/h8-11,17,21H,2-7,12-16H2,1H3/p+1/t17-/m1/s1