N,N-diethyl-4-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide Openeye Name: 4-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-propyl]-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-4-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide IUPAC Name: 4-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-propyl]-N,N-diethyl-benzenesulfonamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H35N3O3S/c1-3-28(4-2)32(30,31)24-14-11-22(12-15-24)13-16-25(29)27-18-8-17-26(19-20-27)21-23-9-6-5-7-10-23/h5-7,9-12,14-15H,3-4,8,13,16-21H2,1-2H3