N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H26N2O5S/c1-16-6-8-18(15-21(16)30(26,27)24-10-3-2-4-11-24)23-22(25)17-7-9-19-20(14-17)29-13-5-12-28-19/h6-9,14-15H,2-5,10-13H2,1H3,(H,23,25)