(2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-methylphenoxy)propanamide

Systemtic Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-methylphenoxy)propanamide Openeye Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-methylphenoxy)propanamide CAS Name: (2S)-N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-(4-methylphenoxy)propanamide IUPAC Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-methylphenoxy)propanamide Traditional Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-methylphenoxy)propionamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)OC3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H](C)OC3=CC=C(C=C3)C

InChI

InChI=1S/C22H29N3O4S/c1-4-24-13-15-25(16-14-24)30(27,28)21-11-7-19(8-12-21)23-22(26)18(3)29-20-9-5-17(2)6-10-20/h5-12,18H,4,13-16H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1