1-[2-[(3-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(3-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[3-methoxy-N-(p-tolylsulfonyl)anilino]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-(3-methoxy-N-tosyl-anilino)acetyl]isonipecotamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)N)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)N)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27N3O5S/c1-16-6-8-20(9-7-16)31(28,29)25(18-4-3-5-19(14-18)30-2)15-21(26)24-12-10-17(11-13-24)22(23)27/h3-9,14,17H,10-13,15H2,1-2H3,(H2,23,27)