(1R,2S)-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-methyl-cyclopropane-1-carboxamide

Systemtic Name: (1R,2S)-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-methyl-cyclopropane-1-carboxamide Openeye Name: (1R,2S)-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-methyl-cyclopropanecarboxamide CAS Name: (1R,2S)-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-methyl-1-cyclopropanecarboxamide IUPAC Name: (1R,2S)-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-methylcyclopropane-1-carboxamide Traditional Name: (1R,2S)-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-methyl-cyclopropanecarboxamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H]1C[C@H]1C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H22N2O5S/c1-13-11-17(13)20(23)21-14-3-5-15(6-4-14)22-28(24,25)16-7-8-18-19(12-16)27-10-2-9-26-18/h3-8,12-13,17,22H,2,9-11H2,1H3,(H,21,23)/t13-,17+/m0/s1