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

Systemtic Name: (3S)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C23H32N3O5S+ MolecularWeight: 462.58228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C23H31N3O5S/c1-30-19-8-10-20(11-9-19)32(28,29)26-14-4-6-18(17-26)23(27)24-16-21(22-7-5-15-31-22)25-12-2-3-13-25/h5,7-11,15,18,21H,2-4,6,12-14,16-17H2,1H3,(H,24,27)/p+1/t18-,21+/m0/s1