1-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)propanoyl]piperidine-4-carboxamide CAS Name: 1-[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-(N-mesyl-3,4-dimethyl-anilino)propanoyl]isonipecotamide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C(C)C(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C(C)C(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C)C

InChI

InChI=1S/C18H27N3O4S/c1-12-5-6-16(11-13(12)2)21(26(4,24)25)14(3)18(23)20-9-7-15(8-10-20)17(19)22/h5-6,11,14-15H,7-10H2,1-4H3,(H2,19,22)