2-[(4-cyanophenyl)sulfonyl-cyclopropyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[(4-cyanophenyl)sulfonyl-cyclopropyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[(4-cyanophenyl)sulfonyl-cyclopropyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(4-cyanophenyl)sulfonyl-cyclopropyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN(C3CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN(C3CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)OC1

InChI

InChI=1S/C21H21N3O5S/c22-13-15-2-7-18(8-3-15)30(26,27)24(17-5-6-17)14-21(25)23-16-4-9-19-20(12-16)29-11-1-10-28-19/h2-4,7-9,12,17H,1,5-6,10-11,14H2,(H,23,25)