N-methyl-N-[2-oxidanylidene-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide Openeye Name: N-methyl-N-[2-oxo-2-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide CAS Name: N-methyl-N-[2-oxo-2-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide IUPAC Name: N-methyl-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide Traditional Name: N-[2-keto-2-[4-(3-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=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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