1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one CAS Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-(4-pyrrolidinosulfonylphenyl)propan-1-one Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C26H32N2O5S/c29-26(13-8-20-6-10-22(11-7-20)34(30,31)27-14-1-2-15-27)28-16-3-5-23(28)21-9-12-24-25(19-21)33-18-4-17-32-24/h6-7,9-12,19,23H,1-5,8,13-18H2/t23-/m0/s1