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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5S/c1-26(16-18-15-24-27(17-18)19-6-3-2-4-7-19)23(28)10-11-25-33(29,30)20-8-9-21-22(14-20)32-13-5-12-31-21/h2-4,6-9,14-15,17,25H,5,10-13,16H2,1H3