2-[(3R,5S)-7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethyl-3-oxidanyl-propyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]-N-propylsulfonyl-ethanamide

Systemtic Name: 2-[(3R,5S)-7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethyl-3-oxidanyl-propyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]-N-propylsulfonyl-ethanamide Openeye Name: 2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-propylsulfonyl-acetamide CAS Name: 2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-propylsulfonylacetamide IUPAC Name: 2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-propylsulfonylacetamide Traditional Name: 2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-keto-5H-4,1-benzoxazepin-3-yl]-N-propylsulfonyl-acetamide Formula: C27H35ClN2O8S MolecularWeight: 583.0934

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC(=O)CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(O1)C3=C(C(=CC=C3)OC)OC)CC(C)(C)CO

Isomeric SMILES

CCCS(=O)(=O)NC(=O)C[C@@H]1C(=O)N(C2=C(C=C(C=C2)Cl)[C@H](O1)C3=C(C(=CC=C3)OC)OC)CC(C)(C)CO

InChI

InChI=1S/C27H35ClN2O8S/c1-6-12-39(34,35)29-23(32)14-22-26(33)30(15-27(2,3)16-31)20-11-10-17(28)13-19(20)24(38-22)18-8-7-9-21(36-4)25(18)37-5/h7-11,13,22,24,31H,6,12,14-16H2,1-5H3,(H,29,32)/t22-,24-/m1/s1