1-(1H-imidazol-5-yl)pentyl 2-[(2-azanyl-3-phenyl-phenyl)sulfonylamino]-4-methyl-1-oxidanylidene-5-(triphenylmethyl)piperidin-1-ium-2-carboxylate

Systemtic Name: 1-(1H-imidazol-5-yl)pentyl 2-[(2-azanyl-3-phenyl-phenyl)sulfonylamino]-4-methyl-1-oxidanylidene-5-(triphenylmethyl)piperidin-1-ium-2-carboxylate Openeye Name: 1-(1H-imidazol-5-yl)pentyl 2-[(2-amino-3-phenyl-phenyl)sulfonylamino]-4-methyl-1-oxo-5-trityl-piperidin-1-ium-2-carboxylate CAS Name: 2-[(2-amino-3-phenylphenyl)sulfonylamino]-4-methyl-1-oxo-5-(triphenylmethyl)-2-piperidin-1-iumcarboxylic acid 1-(1H-imidazol-5-yl)pentyl ester IUPAC Name: 1-(1H-imidazol-5-yl)pentyl 2-[(2-amino-3-phenylphenyl)sulfonylamino]-4-methyl-1-oxo-5-tritylpiperidin-1-ium-2-carboxylate Traditional Name: 2-[(2-amino-3-phenyl-phenyl)sulfonylamino]-1-keto-4-methyl-5-trityl-piperidin-1-ium-2-carboxylic acid 1-(1H-imidazol-5-yl)pentyl ester Formula: C46H48N5O5S+ MolecularWeight: 782.96882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CN=CN1)OC(=O)C2(CC(C(C[N+]2=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C)NS(=O)(=O)C6=CC=CC(=C6N)C7=CC=CC=C7

Isomeric SMILES

CCCCC(C1=CN=CN1)OC(=O)C2(CC(C(C[N+]2=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C)NS(=O)(=O)C6=CC=CC(=C6N)C7=CC=CC=C7

InChI

InChI=1S/C46H48N5O5S/c1-3-4-27-41(40-30-48-32-49-40)56-44(52)45(50-57(54,55)42-28-17-26-38(43(42)47)34-18-9-5-10-19-34)29-33(2)39(31-51(45)53)46(35-20-11-6-12-21-35,36-22-13-7-14-23-36)37-24-15-8-16-25-37/h5-26,28,30,32-33,39,41,50H,3-4,27,29,31,47H2,1-2H3,(H,48,49)/q+1