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

Systemtic Name: N-[1-(phenylmethyl)pyrrolidin-3-yl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(phenylmethyl)-3-pyrrolidinyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-1-mesitylsulfonyl-isonipecotamide Formula: C26H35N3O3S MolecularWeight: 469.6394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H35N3O3S/c1-19-15-20(2)25(21(3)16-19)33(31,32)29-13-9-23(10-14-29)26(30)27-24-11-12-28(18-24)17-22-7-5-4-6-8-22/h4-8,15-16,23-24H,9-14,17-18H2,1-3H3,(H,27,30)