(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C24H34N3O5S+ MolecularWeight: 476.60886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C24H33N3O5S/c1-31-20-9-11-21(12-10-20)33(29,30)27-15-5-7-19(18-27)24(28)25-17-22(23-8-6-16-32-23)26-13-3-2-4-14-26/h6,8-12,16,19,22H,2-5,7,13-15,17-18H2,1H3,(H,25,28)/p+1/t19-,22+/m0/s1