N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pyrrolidine-2-carboxamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O5S/c1-16(17-10-11-20-21(15-17)29-14-6-13-28-20)23-22(25)19-9-5-12-24(19)30(26,27)18-7-3-2-4-8-18/h2-4,7-8,10-11,15-16,19H,5-6,9,12-14H2,1H3,(H,23,25)