N-methyl-N-[2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-methyl-N-[2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-methyl-N-[2-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: N-methyl-N-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzenesulfonamide IUPAC Name: N-methyl-N-[2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: N-[2-keto-2-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethyl]-N-methyl-benzenesulfonamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S/c1-18-8-6-9-19(22-18)16-24-12-7-13-25(15-14-24)21(26)17-23(2)29(27,28)20-10-4-3-5-11-20/h3-6,8-11H,7,12-17H2,1-2H3