N-[4-(diethylaminomethyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(diethylaminomethyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[4-(diethylaminomethyl)phenyl]-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(diethylaminomethyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(diethylaminomethyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[4-(diethylaminomethyl)phenyl]-1-(3-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(=C3)C

Isomeric SMILES

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

InChI

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