N-methyl-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide Openeye Name: N-methyl-N-[2-oxo-2-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide CAS Name: N-methyl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide IUPAC Name: N-methyl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide Traditional Name: N-[2-keto-2-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]ethyl]-N-methyl-benzenesulfonamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCCN(CC1)CC2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)N1CCCN(CC1)CC2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3S/c1-22(28(26,27)19-6-3-2-4-7-19)17-20(25)24-13-5-12-23(14-15-24)16-18-8-10-21-11-9-18/h2-4,6-11H,5,12-17H2,1H3