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

Systemtic Name: N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-methyl-N-[[2-(1-piperidyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-methyl-N-[[2-(1-piperidinyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-methyl-N-(2-piperidinobenzyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCCC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCCC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H28N2O4S/c1-23(17-18-8-3-4-9-20(18)24-12-5-2-6-13-24)29(25,26)19-10-11-21-22(16-19)28-15-7-14-27-21/h3-4,8-11,16H,2,5-7,12-15,17H2,1H3