N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,3,5-trimethyl-N-(4-methylphenyl)pyrazole-4-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,3,5-trimethyl-N-(4-methylphenyl)pyrazole-4-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-1,3,5-trimethyl-N-(p-tolyl)pyrazole-4-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)-4-pyrazolesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)pyrazole-4-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-1,3,5-trimethyl-N-(p-tolyl)pyrazole-4-sulfonamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=C(N(N=C3C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=C(N(N=C3C)C)C

InChI

InChI=1S/C21H30N4O3S/c1-16-9-11-19(12-10-16)25(15-20(26)24-13-7-5-6-8-14-24)29(27,28)21-17(2)22-23(4)18(21)3/h9-12H,5-8,13-15H2,1-4H3