N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C23H32N3O4S2+ MolecularWeight: 478.64788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C23H31N3O4S2/c1-30-21-11-10-18(32(28,29)26-13-4-2-3-5-14-26)16-19(21)24-23(27)17-25-12-6-8-20(25)22-9-7-15-31-22/h7,9-11,15-16,20H,2-6,8,12-14,17H2,1H3,(H,24,27)/p+1/t20-/m0/s1