N-[(2S)-2-(diethylazaniumyl)-2-(3-methoxyphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzenecarboximidate

Systemtic Name: N-[(2S)-2-(diethylazaniumyl)-2-(3-methoxyphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzenecarboximidate Openeye Name: N-[(2S)-2-(diethylammonio)-2-(3-methoxyphenyl)ethyl]-4-(2-thienylsulfonylamino)benzenecarboximidate CAS Name: N-[(2S)-2-(diethylammonio)-2-(3-methoxyphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzenecarboximidate IUPAC Name: N-[(2S)-2-(diethylazaniumyl)-2-(3-methoxyphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzenecarboximidate Traditional Name: N-[(2S)-2-(diethylammonio)-2-(3-methoxyphenyl)ethyl]-4-(2-thienylsulfonylamino)benzenecarboximidate Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CN=C(C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2)[O-])C3=CC(=CC=C3)OC

Isomeric SMILES

CC[NH+](CC)[C@H](CN=C(C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2)[O-])C3=CC(=CC=C3)OC

InChI

InChI=1S/C24H29N3O4S2/c1-4-27(5-2)22(19-8-6-9-21(16-19)31-3)17-25-24(28)18-11-13-20(14-12-18)26-33(29,30)23-10-7-15-32-23/h6-16,22,26H,4-5,17H2,1-3H3,(H,25,28)/t22-/m1/s1