1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-methyl-2-oxidanyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-methyl-2-oxidanyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-hydroxy-4-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-hydroxy-4-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-hydroxy-4-methyl-phenyl)isonipecotamide Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)O

InChI

InChI=1S/C22H26N2O6S/c1-15-3-5-18(19(25)13-15)23-22(26)16-7-9-24(10-8-16)31(27,28)17-4-6-20-21(14-17)30-12-2-11-29-20/h3-6,13-14,16,25H,2,7-12H2,1H3,(H,23,26)