N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C22H30N3O3S2+ MolecularWeight: 448.6219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C22H29N3O3S2/c1-17-9-10-18(30(27,28)25-12-3-2-4-13-25)15-19(17)23-22(26)16-24-11-5-7-20(24)21-8-6-14-29-21/h6,8-10,14-15,20H,2-5,7,11-13,16H2,1H3,(H,23,26)/p+1/t20-/m0/s1