N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C23H32N3O5S+ MolecularWeight: 462.58228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H31N3O5S/c1-30-21-10-9-18(16-22(21)32(28,29)26-13-5-6-14-26)23(27)24-17-19(20-8-7-15-31-20)25-11-3-2-4-12-25/h7-10,15-16,19H,2-6,11-14,17H2,1H3,(H,24,27)/p+1/t19-/m0/s1