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

Systemtic Name: N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(4-ethylphenyl)methyl]-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(4-ethylphenyl)methyl]-N-(3-pyridinylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(4-ethylbenzyl)-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H26N2O4S/c1-2-19-6-8-20(9-7-19)17-26(18-21-5-3-12-25-16-21)31(27,28)22-10-11-23-24(15-22)30-14-4-13-29-23/h3,5-12,15-16H,2,4,13-14,17-18H2,1H3