2-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-N-(phenylsulfonyl)piperazin-1-ium-1-carboxamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-N-(phenylsulfonyl)piperazin-1-ium-1-carboxamide Openeye Name: 2-(2-amino-2-oxo-ethyl)-N-(benzenesulfonyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-carboxamide CAS Name: 2-(2-amino-2-oxoethyl)-N-(benzenesulfonyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[(4-methoxyphenyl)methyl]-1-piperazin-1-iumcarboxamide IUPAC Name: 2-(2-amino-2-oxoethyl)-N-(benzenesulfonyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-carboxamide Traditional Name: 2-(2-amino-2-keto-ethyl)-N-besyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-p-anisyl-piperazin-1-ium-1-carboxamide Formula: C29H33N8O5S+ MolecularWeight: 605.68792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CC[N+](C(C3)CC(=O)N)(CC4=CC=C(C=C4)OC)C(=O)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CC[N+](C(C3)CC(=O)N)(CC4=CC=C(C=C4)OC)C(=O)NS(=O)(=O)C5=CC=CC=C5

InChI

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