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

Systemtic Name: (2S)-1-(3-bromanyl-4-methoxy-phenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Openeye Name: (2S)-1-(3-bromo-4-methoxy-phenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine CAS Name: (2S)-1-(3-bromo-4-methoxyphenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine IUPAC Name: (2S)-1-(3-bromo-4-methoxyphenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Traditional Name: (2S)-1-(3-bromo-4-methoxy-phenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4)Br

InChI

InChI=1S/C20H22BrNO5S/c1-25-18-8-6-15(13-16(18)21)28(23,24)22-9-2-4-17(22)14-5-7-19-20(12-14)27-11-3-10-26-19/h5-8,12-13,17H,2-4,9-11H2,1H3/t17-/m0/s1