(3S)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C23H32N3O5S2+ MolecularWeight: 494.64728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C23H31N3O5S2/c1-30-20-8-6-18(7-9-20)21(25-11-13-31-14-12-25)16-24-23(27)19-4-2-10-26(17-19)33(28,29)22-5-3-15-32-22/h3,5-9,15,19,21H,2,4,10-14,16-17H2,1H3,(H,24,27)/p+1/t19-,21+/m0/s1