N-methyl-4-[2-[7-(2-oxidanylidene-1,4-diazepan-1-yl)heptan-3-ylamino]propyl]benzenesulfonamide

Systemtic Name: N-methyl-4-[2-[7-(2-oxidanylidene-1,4-diazepan-1-yl)heptan-3-ylamino]propyl]benzenesulfonamide Openeye Name: 4-[2-[[1-ethyl-5-(2-oxo-1,4-diazepan-1-yl)pentyl]amino]propyl]-N-methyl-benzenesulfonamide CAS Name: N-methyl-4-[2-[7-(2-oxo-1,4-diazepan-1-yl)heptan-3-ylamino]propyl]benzenesulfonamide IUPAC Name: N-methyl-4-[2-[7-(2-oxo-1,4-diazepan-1-yl)heptan-3-ylamino]propyl]benzenesulfonamide Traditional Name: 4-[2-[[1-ethyl-5-(2-keto-1,4-diazepan-1-yl)pentyl]amino]propyl]-N-methyl-benzenesulfonamide Formula: C22H38N4O3S MolecularWeight: 438.62712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCN1CCCNCC1=O)NC(C)CC2=CC=C(C=C2)S(=O)(=O)NC

Isomeric SMILES

CCC(CCCCN1CCCNCC1=O)NC(C)CC2=CC=C(C=C2)S(=O)(=O)NC

InChI

InChI=1S/C22H38N4O3S/c1-4-20(8-5-6-14-26-15-7-13-24-17-22(26)27)25-18(2)16-19-9-11-21(12-10-19)30(28,29)23-3/h9-12,18,20,23-25H,4-8,13-17H2,1-3H3