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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCN(C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CCN(C3)C4=CC=CC=C4)C

InChI

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