(2S)-N-[1-(4-ethoxy-3-methoxy-phenyl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[1-(4-ethoxy-3-methoxy-phenyl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[1-(4-ethoxy-3-methoxy-phenyl)ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[1-(4-ethoxy-3-methoxy-phenyl)ethyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C23H30N2O5S/c1-5-30-21-13-10-18(15-22(21)29-4)17(3)24-23(26)20-7-6-14-25(20)31(27,28)19-11-8-16(2)9-12-19/h8-13,15,17,20H,5-7,14H2,1-4H3,(H,24,26)/t17?,20-/m0/s1