(4-chloranyl-3-methylsulfonyl-phenyl)-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone

Systemtic Name: (4-chloranyl-3-methylsulfonyl-phenyl)-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone Openeye Name: (4-chloro-3-methylsulfonyl-phenyl)-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone CAS Name: (4-chloro-3-methylsulfonylphenyl)-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]methanone IUPAC Name: (4-chloro-3-methylsulfonylphenyl)-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone Traditional Name: (4-chloro-3-mesyl-phenyl)-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]methanone Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)Cl

InChI

InChI=1S/C21H22ClNO5S/c1-29(25,26)20-13-15(5-7-16(20)22)21(24)23-9-2-4-17(23)14-6-8-18-19(12-14)28-11-3-10-27-18/h5-8,12-13,17H,2-4,9-11H2,1H3