3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-N-methyl-N-phenyl-benzenesulfonamide

Systemtic Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-N-methyl-N-phenyl-benzenesulfonamide Openeye Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-methyl-N-phenyl-benzenesulfonamide CAS Name: 3-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-N-methyl-N-phenylbenzenesulfonamide IUPAC Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide Traditional Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-methyl-N-phenyl-benzenesulfonamide Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O5S/c1-28(22-9-3-2-4-10-22)35(31,32)23-11-5-8-21(18-23)27(30)29-15-6-12-24(29)20-13-14-25-26(19-20)34-17-7-16-33-25/h2-5,8-11,13-14,18-19,24H,6-7,12,15-17H2,1H3/t24-/m0/s1