(2S)-N-[1-(5-chloranylthiophen-2-yl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[1-(5-chloranylthiophen-2-yl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[1-(5-chloro-2-thienyl)ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[1-(5-chloro-2-thiophenyl)ethyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[1-(5-chloro-2-thienyl)ethyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C18H21ClN2O3S2 MolecularWeight: 412.95394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(C)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC(C)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H21ClN2O3S2/c1-12-5-7-14(8-6-12)26(23,24)21-11-3-4-15(21)18(22)20-13(2)16-9-10-17(19)25-16/h5-10,13,15H,3-4,11H2,1-2H3,(H,20,22)/t13?,15-/m0/s1