(2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(p-tolylsulfonyl)-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-pyrrolidino-2-(2-thienyl)ethyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC(C3=CC=CS3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC(C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C22H29N3O3S2/c1-17-8-10-18(11-9-17)30(27,28)25-14-4-6-19(25)22(26)23-16-20(21-7-5-15-29-21)24-12-2-3-13-24/h5,7-11,15,19-20H,2-4,6,12-14,16H2,1H3,(H,23,26)/t19-,20?/m0/s1