N-[1-(2,5-dimethylphenyl)ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(2,5-dimethylphenyl)ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxamide CAS Name: N-[1-(2,5-dimethylphenyl)ethyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[1-(2,5-dimethylphenyl)ethyl]isonipecotamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3S/c1-17-9-10-18(2)22(15-17)19(3)24-23(26)21-11-13-25(14-12-21)29(27,28)16-20-7-5-4-6-8-20/h4-10,15,19,21H,11-14,16H2,1-3H3,(H,24,26)