N-methyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-methyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-methyl-N-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-methyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-methyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-methyl-N-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-18(12-13-5-7-17-8-6-13)23(19,20)14-3-4-15-16(11-14)22-10-2-9-21-15/h3-8,11H,2,9-10,12H2,1H3