N-[4-(diethylaminomethyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(diethylaminomethyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[4-(diethylaminomethyl)phenyl]-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(diethylaminomethyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(diethylaminomethyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[4-(diethylaminomethyl)phenyl]-1-(2-methylbenzyl)sulfonyl-isonipecotamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3C

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C25H35N3O3S/c1-4-27(5-2)18-21-10-12-24(13-11-21)26-25(29)22-14-16-28(17-15-22)32(30,31)19-23-9-7-6-8-20(23)3/h6-13,22H,4-5,14-19H2,1-3H3,(H,26,29)