3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-(p-phenetylsulfonylamino)propionamide Formula: C21H30N3O5S2+ MolecularWeight: 468.61

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C21H29N3O5S2/c1-2-29-17-5-7-18(8-6-17)31(26,27)23-10-9-21(25)22-16-19(20-4-3-15-30-20)24-11-13-28-14-12-24/h3-8,15,19,23H,2,9-14,16H2,1H3,(H,22,25)/p+1/t19-/m0/s1