N-[4-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[4-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-oxomethyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C28H31N3O7S MolecularWeight: 553.62664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C28H31N3O7S/c1-18(2)23-11-5-19(3)15-25(23)38-17-27(32)29-30-28(33)20-6-8-21(9-7-20)31-39(34,35)22-10-12-24-26(16-22)37-14-4-13-36-24/h5-12,15-16,18,31H,4,13-14,17H2,1-3H3,(H,29,32)(H,30,33)