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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-16(23-18-6-7-20-21(15-18)31-11-3-10-30-20)22(26)24-17-4-2-5-19(14-17)32(27,28)25-8-12-29-13-9-25/h2,4-7,14-16,23H,3,8-13H2,1H3,(H,24,26)