N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-phenyl-2-pyrrolidino-ethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C28H39N3O3S MolecularWeight: 497.69256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=CC=C3)N4CCCC4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=CC=C3)N4CCCC4)C)C

InChI

InChI=1S/C28H39N3O3S/c1-20-18-21(2)23(4)27(22(20)3)35(33,34)31-16-12-25(13-17-31)28(32)29-19-26(30-14-8-9-15-30)24-10-6-5-7-11-24/h5-7,10-11,18,25-26H,8-9,12-17,19H2,1-4H3,(H,29,32)