[(2R)-2-(azepan-1-ium-1-yl)-2-thiophen-3-yl-ethyl]-phenethylsulfonyl-azanide

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-thiophen-3-yl-ethyl]-phenethylsulfonyl-azanide Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-phenethylsulfonyl-azanide CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(3-thiophenyl)ethyl]-phenethylsulfonylazanide IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-thiophen-3-ylethyl]-phenethylsulfonylazanide Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-phenethylsulfonyl-azanide Formula: C20H28N2O2S2 MolecularWeight: 392.57852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C[N-]S(=O)(=O)CCC2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C[N-]S(=O)(=O)CCC2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C20H27N2O2S2/c23-26(24,15-11-18-8-4-3-5-9-18)21-16-20(19-10-14-25-17-19)22-12-6-1-2-7-13-22/h3-5,8-10,14,17,20H,1-2,6-7,11-13,15-16H2/q-1/p+1/t20-/m0/s1