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

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-(brosylamino)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]propionamide Formula: C19H25BrN3O4S2+ MolecularWeight: 503.4535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CS3

InChI

InChI=1S/C19H24BrN3O4S2/c20-15-3-5-16(6-4-15)29(25,26)22-8-7-19(24)21-14-17(18-2-1-13-28-18)23-9-11-27-12-10-23/h1-6,13,17,22H,7-12,14H2,(H,21,24)/p+1/t17-/m0/s1