N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(1-phenyl-4-pyrazolyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CN(N=C3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CN(N=C3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C20H21N3O4S/c24-28(25,18-7-8-19-20(13-18)27-12-4-11-26-19)22-10-9-16-14-21-23(15-16)17-5-2-1-3-6-17/h1-3,5-8,13-15,22H,4,9-12H2