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

Systemtic Name: N-[[(3S)-1-[2-(azepan-1-ium-1-yl)ethanoyl]piperidin-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3S)-1-[2-(azepan-1-ium-1-yl)acetyl]-3-piperidyl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3S)-1-[2-(1-azepan-1-iumyl)-1-oxoethyl]-3-piperidinyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3S)-1-[2-(azepan-1-ium-1-yl)acetyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3S)-1-[2-(azepan-1-ium-1-yl)acetyl]-3-piperidyl]methyl]-4-methoxy-benzenesulfonamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2CCCN(C2)C(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-28-19-8-10-20(11-9-19)29(26,27)22-15-18-7-6-14-24(16-18)21(25)17-23-12-4-2-3-5-13-23/h8-11,18,22H,2-7,12-17H2,1H3/p+1/t18-/m1/s1