(2R)-4-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC(OC4=CC=CC=C43)C(=O)N)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3C[C@@H](OC4=CC=CC=C43)C(=O)N)Cl

InChI

InChI=1S/C22H24ClN3O5S/c23-16-10-9-15(13-20(16)32(29,30)25-11-5-1-2-6-12-25)22(28)26-14-19(21(24)27)31-18-8-4-3-7-17(18)26/h3-4,7-10,13,19H,1-2,5-6,11-12,14H2,(H2,24,27)/t19-/m1/s1