2-[ethyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[ethyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[ethyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]amino]-N-(2-thienylmethyl)acetamide CAS Name: 2-[ethyl-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[ethyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[ethyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]amino]-N-(2-thenyl)acetamide Formula: C19H28N5O3S2+ MolecularWeight: 438.58732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H27N5O3S2/c1-3-23(15-19(25)21-13-16-5-4-12-28-16)18-7-6-17(14-20-18)29(26,27)24-10-8-22(2)9-11-24/h4-7,12,14H,3,8-11,13,15H2,1-2H3,(H,21,25)/p+1