N-[1-(2,4-dimethylphenyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[1-(2,4-dimethylphenyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[1-(2,4-dimethylphenyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[1-(2,4-dimethylphenyl)ethyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[1-(2,4-dimethylphenyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[1-(2,4-dimethylphenyl)ethyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3)C

InChI

InChI=1S/C25H34N2O3S/c1-19-13-14-24(20(2)17-19)21(3)26-25(28)23-12-7-15-27(18-23)31(29,30)16-8-11-22-9-5-4-6-10-22/h4-6,9-10,13-14,17,21,23H,7-8,11-12,15-16,18H2,1-3H3,(H,26,28)