2-acetamido-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propanamide

Systemtic Name: 2-acetamido-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propanamide Openeye Name: 2-acetamido-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propanamide CAS Name: 2-acetamido-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propanamide IUPAC Name: 2-acetamido-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propanamide Traditional Name: 2-acetamido-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propionamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)NC(=O)C

InChI

InChI=1S/C20H23N3O6S/c1-13(21-14(2)24)20(25)22-15-4-6-16(7-5-15)23-30(26,27)17-8-9-18-19(12-17)29-11-3-10-28-18/h4-9,12-13,23H,3,10-11H2,1-2H3,(H,21,24)(H,22,25)