N-[(4-piperidin-1-ylcarbonylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(4-piperidin-1-ylcarbonylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(piperidine-1-carbonyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H26N2O5S/c25-22(24-11-2-1-3-12-24)18-7-5-17(6-8-18)16-23-30(26,27)19-9-10-20-21(15-19)29-14-4-13-28-20/h5-10,15,23H,1-4,11-14,16H2