N-[4-[[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-yl-ethyl]sulfamoyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-yl-ethyl]sulfamoyl]phenyl]ethanamide Openeye Name: N-[4-[[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]sulfamoyl]phenyl]acetamide CAS Name: N-[4-[[(2S)-2-(1-azepan-1-iumyl)-2-(3-thiophenyl)ethyl]sulfamoyl]phenyl]acetamide IUPAC Name: N-[4-[[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide Traditional Name: N-[4-[[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]sulfamoyl]phenyl]acetamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)[NH+]3CCCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CSC=C2)[NH+]3CCCCCC3

InChI

InChI=1S/C20H27N3O3S2/c1-16(24)22-18-6-8-19(9-7-18)28(25,26)21-14-20(17-10-13-27-15-17)23-11-4-2-3-5-12-23/h6-10,13,15,20-21H,2-5,11-12,14H2,1H3,(H,22,24)/p+1/t20-/m1/s1