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

Systemtic Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-N-propan-2-yl-benzenesulfonamide Openeye Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-isopropyl-benzenesulfonamide CAS Name: 3-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide Traditional Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-isopropyl-benzenesulfonamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-16(2)24-31(27,28)19-7-3-6-18(14-19)23(26)25-11-4-8-20(25)17-9-10-21-22(15-17)30-13-5-12-29-21/h3,6-7,9-10,14-16,20,24H,4-5,8,11-13H2,1-2H3/t20-/m0/s1