2-(2-azanyl-2-oxidanylidene-ethyl)-1-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(phenylsulfonyl)piperazin-1-ium-1-carboxamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)-1-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(phenylsulfonyl)piperazin-1-ium-1-carboxamide Openeye Name: 2-(2-amino-2-oxo-ethyl)-N-(benzenesulfonyl)-1-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-1-carboxamide CAS Name: 2-(2-amino-2-oxoethyl)-N-(benzenesulfonyl)-1-[(4-ethoxyphenyl)methyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-piperazin-1-iumcarboxamide IUPAC Name: 2-(2-amino-2-oxoethyl)-N-(benzenesulfonyl)-1-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-1-carboxamide Traditional Name: 2-(2-amino-2-keto-ethyl)-N-besyl-1-(4-ethoxybenzyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-1-carboxamide Formula: C29H33N8O5S+ MolecularWeight: 605.68792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H32N8O5S/c1-2-42-24-10-8-22(9-11-24)20-37(29(39)34-43(40,41)25-6-4-3-5-7-25)17-16-35(19-23(37)18-26(30)38)27-12-13-32-28(33-27)36-15-14-31-21-36/h3-15,21,23H,2,16-20H2,1H3,(H2-,30,34,38,39)/p+1