1-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[2-(3-methylsulfonylanilino)-2-oxoethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[2-(3-methylsulfonylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[2-keto-2-(3-mesylanilino)ethyl]-N-phenyl-isonipecotamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-29(27,28)19-9-5-8-18(14-19)22-20(25)15-24-12-10-16(11-13-24)21(26)23-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3,(H,22,25)(H,23,26)