N-[4-[[2-oxidanylidene-2-[(2S)-2-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]piperidin-1-yl]ethyl]amino]phenyl]propane-1-sulfonamide

Systemtic Name: N-[4-[[2-oxidanylidene-2-[(2S)-2-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]piperidin-1-yl]ethyl]amino]phenyl]propane-1-sulfonamide Openeye Name: N-[4-[[2-[(2S)-2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1-piperidyl]-2-oxo-ethyl]amino]phenyl]propane-1-sulfonamide CAS Name: N-[4-[[2-[(2S)-2-[[(3S)-3-hydroxy-1-pyrrolidinyl]methyl]-1-piperidinyl]-2-oxoethyl]amino]phenyl]-1-propanesulfonamide IUPAC Name: N-[4-[[2-[(2S)-2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]amino]phenyl]propane-1-sulfonamide Traditional Name: N-[4-[[2-[(2S)-2-[[(3S)-3-hydroxypyrrolidino]methyl]piperidino]-2-keto-ethyl]amino]phenyl]propane-1-sulfonamide Formula: C21H34N4O4S MolecularWeight: 438.58406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC=C(C=C1)NCC(=O)N2CCCCC2CN3CCC(C3)O

Isomeric SMILES

CCCS(=O)(=O)NC1=CC=C(C=C1)NCC(=O)N2CCCC[C@H]2CN3CC[C@@H](C3)O

InChI

InChI=1S/C21H34N4O4S/c1-2-13-30(28,29)23-18-8-6-17(7-9-18)22-14-21(27)25-11-4-3-5-19(25)15-24-12-10-20(26)16-24/h6-9,19-20,22-23,26H,2-5,10-16H2,1H3/t19-,20-/m0/s1