2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-morpholinosulfonylphenyl)propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-morpholinosulfonylphenyl)propionamide Formula: C22H27N3O6S MolecularWeight: 461.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H27N3O6S/c1-16(23-18-5-8-20-21(15-18)31-12-2-11-30-20)22(26)24-17-3-6-19(7-4-17)32(27,28)25-9-13-29-14-10-25/h3-8,15-16,23H,2,9-14H2,1H3,(H,24,26)