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

Systemtic Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-tosyl-propan-1-one Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5S/c1-17-5-8-19(9-6-17)30(26,27)15-11-23(25)24-12-2-4-20(24)18-7-10-21-22(16-18)29-14-3-13-28-21/h5-10,16,20H,2-4,11-15H2,1H3/t20-/m0/s1