1-[2-[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-yl]-2-oxidanylidene-ethyl]azepan-1-ium

Systemtic Name: 1-[2-[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-yl]-2-oxidanylidene-ethyl]azepan-1-ium Openeye Name: 1-[2-[(3S)-3-[(dimethylsulfamoylamino)methyl]-1-piperidyl]-2-oxo-ethyl]azepan-1-ium CAS Name: 1-[2-[(3S)-3-[(dimethylsulfamoylamino)methyl]-1-piperidinyl]-2-oxoethyl]azepan-1-ium IUPAC Name: 1-[2-[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-yl]-2-oxoethyl]azepan-1-ium Traditional Name: 1-[2-[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidino]-2-keto-ethyl]azepan-1-ium Formula: C16H33N4O3S+ MolecularWeight: 361.52322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NCC1CCCN(C1)C(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CN(C)S(=O)(=O)NC[C@H]1CCCN(C1)C(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C16H32N4O3S/c1-18(2)24(22,23)17-12-15-8-7-11-20(13-15)16(21)14-19-9-5-3-4-6-10-19/h15,17H,3-14H2,1-2H3/p+1/t15-/m1/s1