N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C25H31N3O6S/c29-25(24-18-33-22-7-3-4-8-23(22)34-24)26-20-17-19(35(30,31)28-13-15-32-16-14-28)9-10-21(20)27-11-5-1-2-6-12-27/h3-4,7-10,17,24H,1-2,5-6,11-16,18H2,(H,26,29)