4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(1-methylsulfonylpiperidin-4-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(1-methylsulfonylpiperidin-4-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2-ethylanilino)-2-oxo-ethyl]-N-(1-methylsulfonyl-4-piperidyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(1-methylsulfonyl-4-piperidinyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(1-methylsulfonylpiperidin-4-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2-ethylanilino)-2-keto-ethyl]-N-(1-mesyl-4-piperidyl)piperazin-4-ium-1-carboxamide Formula: C21H34N5O4S+ MolecularWeight: 452.59076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)NC3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)NC3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H33N5O4S/c1-3-17-6-4-5-7-19(17)23-20(27)16-24-12-14-25(15-13-24)21(28)22-18-8-10-26(11-9-18)31(2,29)30/h4-7,18H,3,8-16H2,1-2H3,(H,22,28)(H,23,27)/p+1