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

Systemtic Name: N-(2-pyrrolidin-1-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-pyrrolidin-1-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-pyrrolidinyl)phenyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-pyrrolidin-1-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-pyrrolidinophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCC4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCC4)C)C

InChI

InChI=1S/C26H35N3O3S/c1-18-17-19(2)21(4)25(20(18)3)33(31,32)29-15-11-22(12-16-29)26(30)27-23-9-5-6-10-24(23)28-13-7-8-14-28/h5-6,9-10,17,22H,7-8,11-16H2,1-4H3,(H,27,30)