[4-(2,5-dimethoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-(2,5-dimethoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-(2,5-dimethoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyrrolidin-1-yl-methanone CAS Name: [4-(2,5-dimethoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-(2,5-dimethoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-(2,5-dimethoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyrrolidino-methanone Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H26N2O6S/c1-28-18-6-8-20(29-2)21(14-18)31(26,27)24-11-12-30-19-7-5-16(13-17(19)15-24)22(25)23-9-3-4-10-23/h5-8,13-14H,3-4,9-12,15H2,1-2H3