N,N-dimethyl-3-[7-oxidanylidene-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-5,6-dihydro-2H-azepin-6-yl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[7-oxidanylidene-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-5,6-dihydro-2H-azepin-6-yl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[7-oxo-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-5,6-dihydro-2H-azepin-6-yl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[7-oxo-1-[1-phenyl-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-2H-azepin-6-yl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[7-oxo-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-5,6-dihydro-2H-azepin-6-yl]benzenesulfonamide Traditional Name: 3-[7-keto-1-(1-phenyl-2-pyrrolidino-ethyl)-5,6-dihydro-2H-azepin-6-yl]-N,N-dimethyl-benzenesulfonamide Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C2CC=CCN(C2=O)C(CN3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C2CC=CCN(C2=O)C(CN3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3S/c1-27(2)33(31,32)23-14-10-13-22(19-23)24-15-6-7-18-29(26(24)30)25(20-28-16-8-9-17-28)21-11-4-3-5-12-21/h3-7,10-14,19,24-25H,8-9,15-18,20H2,1-2H3