(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-pyrrolidine

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-pyrrolidine Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-pyrrolidine CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidine IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidine Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-pyrrolidine Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25NO5S/c1-15-6-8-19(25-2)21(13-15)28(23,24)22-10-3-5-17(22)16-7-9-18-20(14-16)27-12-4-11-26-18/h6-9,13-14,17H,3-5,10-12H2,1-2H3/t17-/m1/s1