[8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]-(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methanone

Systemtic Name: [8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]-(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methanone Openeye Name: [8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]-(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methanone CAS Name: [8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]-(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methanone IUPAC Name: [8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]-(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methanone Traditional Name: [8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]-(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methanone Formula: C30H35N3O4S MolecularWeight: 533.6816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC3(CC2)CCN(C3)C(=O)C4(C5=CC=CN5C6=CC=CC=C6CO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC3(CC2)CCN(C3)C(=O)C4(C5=CC=CN5C6=CC=CC=C6CO4)C

InChI

InChI=1S/C30H35N3O4S/c1-22-10-11-23(2)26(19-22)38(35,36)32-17-13-30(14-18-32)12-16-31(21-30)28(34)29(3)27-9-6-15-33(27)25-8-5-4-7-24(25)20-37-29/h4-11,15,19H,12-14,16-18,20-21H2,1-3H3