N-[(4-bromophenyl)methyl]-4-methyl-N-[(3R)-2-oxidanylideneazepan-3-yl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

Systemtic Name: N-[(4-bromophenyl)methyl]-4-methyl-N-[(3R)-2-oxidanylideneazepan-3-yl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-4-methyl-N-[(3R)-2-oxoazepan-3-yl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-4-methyl-N-[(3R)-2-oxo-3-azepanyl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-4-methyl-N-[(3R)-2-oxoazepan-3-yl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide Traditional Name: N-(4-bromobenzyl)-N-[(3R)-2-ketoazepan-3-yl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)N(CC3=CC=C(C=C3)Br)C4CCCCNC4=O

Isomeric SMILES

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)N(CC3=CC=C(C=C3)Br)[C@@H]4CCCCNC4=O

InChI

InChI=1S/C22H26BrN3O4S/c1-25-12-13-30-21-14-18(9-10-19(21)25)31(28,29)26(15-16-5-7-17(23)8-6-16)20-4-2-3-11-24-22(20)27/h5-10,14,20H,2-4,11-13,15H2,1H3,(H,24,27)/t20-/m1/s1