N-[(2S)-2-(diethylazaniumyl)-2-(3-methoxyphenyl)ethyl]-2-(methylsulfonylamino)benzenecarboximidate

Systemtic Name: N-[(2S)-2-(diethylazaniumyl)-2-(3-methoxyphenyl)ethyl]-2-(methylsulfonylamino)benzenecarboximidate Openeye Name: N-[(2S)-2-(diethylammonio)-2-(3-methoxyphenyl)ethyl]-2-(methanesulfonamido)benzenecarboximidate CAS Name: N-[(2S)-2-(diethylammonio)-2-(3-methoxyphenyl)ethyl]-2-(methanesulfonamido)benzenecarboximidate IUPAC Name: N-[(2S)-2-(diethylazaniumyl)-2-(3-methoxyphenyl)ethyl]-2-(methanesulfonamido)benzenecarboximidate Traditional Name: N-[(2S)-2-(diethylammonio)-2-(3-methoxyphenyl)ethyl]-2-(methanesulfonamido)benzenecarboximidate Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CN=C(C1=CC=CC=C1NS(=O)(=O)C)[O-])C2=CC(=CC=C2)OC

Isomeric SMILES

CC[NH+](CC)[C@H](CN=C(C1=CC=CC=C1NS(=O)(=O)C)[O-])C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H29N3O4S/c1-5-24(6-2)20(16-10-9-11-17(14-16)28-3)15-22-21(25)18-12-7-8-13-19(18)23-29(4,26)27/h7-14,20,23H,5-6,15H2,1-4H3,(H,22,25)/t20-/m1/s1