N-[[4-[7-oxidanylidene-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-5,6-dihydro-2H-azepin-6-yl]phenyl]methyl]methanesulfonamide

Systemtic Name: N-[[4-[7-oxidanylidene-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-5,6-dihydro-2H-azepin-6-yl]phenyl]methyl]methanesulfonamide Openeye Name: N-[[4-[7-oxo-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-5,6-dihydro-2H-azepin-6-yl]phenyl]methyl]methanesulfonamide CAS Name: N-[[4-[7-oxo-1-[1-phenyl-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-2H-azepin-6-yl]phenyl]methyl]methanesulfonamide IUPAC Name: N-[[4-[7-oxo-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-5,6-dihydro-2H-azepin-6-yl]phenyl]methyl]methanesulfonamide Traditional Name: N-[4-[7-keto-1-(1-phenyl-2-pyrrolidino-ethyl)-5,6-dihydro-2H-azepin-6-yl]benzyl]methanesulfonamide Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=CC=C(C=C1)C2CC=CCN(C2=O)C(CN3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)NCC1=CC=C(C=C1)C2CC=CCN(C2=O)C(CN3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3S/c1-33(31,32)27-19-21-12-14-22(15-13-21)24-11-5-6-18-29(26(24)30)25(20-28-16-7-8-17-28)23-9-3-2-4-10-23/h2-6,9-10,12-15,24-25,27H,7-8,11,16-20H2,1H3