4-methoxy-N-[(2S)-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[(2S)-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzenesulfonamide Openeye Name: 4-methoxy-N-[(1S)-1-methyl-2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide CAS Name: 4-methoxy-N-[(2S)-1-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propan-2-yl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[(2S)-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzenesulfonamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-4-methoxy-benzenesulfonamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H26N4O4S/c1-16(22-29(26,27)19-5-3-18(28-2)4-6-19)20(25)24-13-11-23(12-14-24)15-17-7-9-21-10-8-17/h3-10,16,22H,11-15H2,1-2H3/p+1/t16-/m0/s1