(2S)-N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S2/c1-15-8-10-16(11-9-15)28(25,26)23-12-4-6-17(23)20(24)21-14-18(22(2)3)19-7-5-13-27-19/h5,7-11,13,17-18H,4,6,12,14H2,1-3H3,(H,21,24)/t17-,18?/m0/s1