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

Systemtic Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C27H34N2O5S/c30-27(14-9-21-7-11-23(12-8-21)35(31,32)28-15-2-1-3-16-28)29-17-4-6-24(29)22-10-13-25-26(20-22)34-19-5-18-33-25/h7-8,10-13,20,24H,1-6,9,14-19H2/t24-/m0/s1