(2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)propanamide

Systemtic Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)propanamide Openeye Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furylmethyl)propanamide CAS Name: (2S)-2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-furanylmethyl)propanamide IUPAC Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)propanamide Traditional Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furfuryl)propionamide Formula: C19H23N4O4S+ MolecularWeight: 403.47532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CO1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H22N4O4S/c1-15(19(24)21-14-17-6-4-12-27-17)22-8-10-23(11-9-22)28(25,26)18-7-3-2-5-16(18)13-20/h2-7,12,15H,8-11,14H2,1H3,(H,21,24)/p+1/t15-/m0/s1