(2S)-N-(4-piperidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-piperidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-[4-(1-piperidylsulfonyl)phenyl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[4-(1-piperidinylsulfonyl)phenyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-piperidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-piperidinosulfonylphenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propionamide Formula: C22H30N3O3S2+ MolecularWeight: 448.6219

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C22H29N3O3S2/c1-17(25-15-5-7-20(25)21-8-6-16-29-21)22(26)23-18-9-11-19(12-10-18)30(27,28)24-13-3-2-4-14-24/h6,8-12,16-17,20H,2-5,7,13-15H2,1H3,(H,23,26)/p+1/t17-,20+/m0/s1