N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetamide Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC2=C(C=C1Cl)OCCCO2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(CC(=O)NC1=CC2=C(C=C1Cl)OCCCO2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H18ClN3O5S/c1-23(29(25,26)14-5-3-13(11-21)4-6-14)12-19(24)22-16-10-18-17(9-15(16)20)27-7-2-8-28-18/h3-6,9-10H,2,7-8,12H2,1H3,(H,22,24)