N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-methyl-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23N3O4S/c1-23(14-18-13-22-24(16-18)15-17-6-3-2-4-7-17)29(25,26)19-8-9-20-21(12-19)28-11-5-10-27-20/h2-4,6-9,12-13,16H,5,10-11,14-15H2,1H3