[(1R)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-[(4-piperidin-1-ylsulfonylphenyl)methyl]azanium

Systemtic Name: [(1R)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-[(4-piperidin-1-ylsulfonylphenyl)methyl]azanium Openeye Name: [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl]-[[4-(1-piperidylsulfonyl)phenyl]methyl]ammonium CAS Name: [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[[4-(1-piperidinylsulfonyl)phenyl]methyl]ammonium IUPAC Name: [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[(4-piperidin-1-ylsulfonylphenyl)methyl]azanium Traditional Name: [(1R)-2-keto-2-(m-anisidino)-1-phenyl-ethyl]-(4-piperidinosulfonylbenzyl)ammonium Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@@H](C2=CC=CC=C2)[NH2+]CC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C27H31N3O4S/c1-34-24-12-8-11-23(19-24)29-27(31)26(22-9-4-2-5-10-22)28-20-21-13-15-25(16-14-21)35(32,33)30-17-6-3-7-18-30/h2,4-5,8-16,19,26,28H,3,6-7,17-18,20H2,1H3,(H,29,31)/p+1/t26-/m1/s1