5-(azepan-1-ylsulfonyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methoxy-benzamide Formula: C24H34N3O5S+ MolecularWeight: 476.60886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C24H33N3O5S/c1-31-22-11-10-19(33(29,30)27-14-4-2-3-5-15-27)17-20(22)24(28)25-18-21(23-9-8-16-32-23)26-12-6-7-13-26/h8-11,16-17,21H,2-7,12-15,18H2,1H3,(H,25,28)/p+1/t21-/m0/s1