2-(2-azanyl-2-oxidanylidene-ethyl)-1-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-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-yl-6-methyl-pyrimidin-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-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-carboxamide CAS Name: 2-(2-amino-2-oxoethyl)-N-(benzenesulfonyl)-1-[(4-ethoxyphenyl)methyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazin-1-iumcarboxamide IUPAC Name: 2-(2-amino-2-oxoethyl)-N-(benzenesulfonyl)-1-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-1-ium-1-carboxamide Traditional Name: 2-(2-amino-2-keto-ethyl)-N-besyl-1-(4-ethoxybenzyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-carboxamide Formula: C30H35N8O5S+ MolecularWeight: 619.7145

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H34N8O5S/c1-3-43-25-11-9-23(10-12-25)20-38(30(40)35-44(41,42)26-7-5-4-6-8-26)16-15-36(19-24(38)18-27(31)39)28-17-22(2)33-29(34-28)37-14-13-32-21-37/h4-14,17,21,24H,3,15-16,18-20H2,1-2H3,(H2-,31,35,39,40)/p+1