3-(azepan-1-ylcarbonyl)-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-[2-(4-methyl-1-piperazinyl)ethyl]benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[2-(4-methylpiperazino)ethyl]benzenesulfonamide Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCNS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CN1CCN(CC1)CCNS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H34N4O4S/c1-23-13-15-24(16-14-23)12-9-22-30(27,28)18-7-8-20(29-2)19(17-18)21(26)25-10-5-3-4-6-11-25/h7-8,17,22H,3-6,9-16H2,1-2H3