N-[(R)-phenyl(pyridin-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(R)-phenyl(pyridin-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(R)-phenyl(4-pyridyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(R)-phenyl(pyridin-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(R)-phenyl(pyridin-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(R)-phenyl(4-pyridyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC(C3=CC=CC=C3)C4=CC=NC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N[C@H](C3=CC=CC=C3)C4=CC=NC=C4)OC1

InChI

InChI=1S/C21H20N2O4S/c24-28(25,18-7-8-19-20(15-18)27-14-4-13-26-19)23-21(16-5-2-1-3-6-16)17-9-11-22-12-10-17/h1-3,5-12,15,21,23H,4,13-14H2/t21-/m1/s1