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

Systemtic Name: (2S)-1-(5-bromanyl-2-methoxy-phenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Openeye Name: (2S)-1-(5-bromo-2-methoxy-phenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine CAS Name: (2S)-1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine IUPAC Name: (2S)-1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Traditional Name: (2S)-1-(5-bromo-2-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)Br)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO5S/c1-25-18-8-6-15(21)13-20(18)28(23,24)22-9-2-4-16(22)14-5-7-17-19(12-14)27-11-3-10-26-17/h5-8,12-13,16H,2-4,9-11H2,1H3/t16-/m0/s1