N-[1-(phenylmethyl)pyrrolidin-3-yl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(phenylmethyl)pyrrolidin-3-yl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(phenylmethyl)-3-pyrrolidinyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C27H37N3O3S/c1-19-16-20(2)22(4)26(21(19)3)34(32,33)30-14-10-24(11-15-30)27(31)28-25-12-13-29(18-25)17-23-8-6-5-7-9-23/h5-9,16,24-25H,10-15,17-18H2,1-4H3,(H,28,31)