3-[2-(4-methoxyphenyl)azepan-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[2-(4-methoxyphenyl)azepan-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-[2-(4-methoxyphenyl)azepane-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-[2-(4-methoxyphenyl)azepane-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-[2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C23H26N2O4S/c1-3-15-24-30(27,28)21-9-7-8-19(17-21)23(26)25-16-6-4-5-10-22(25)18-11-13-20(29-2)14-12-18/h1,7-9,11-14,17,22,24H,4-6,10,15-16H2,2H3