2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propionamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5S/c1-17(25-33(29,30)20-9-10-21-22(13-20)32-12-6-11-31-21)23(28)26(2)15-18-14-24-27(16-18)19-7-4-3-5-8-19/h3-5,7-10,13-14,16-17,25H,6,11-12,15H2,1-2H3