methyl 11-[2-(phenylsulfonylamino)propylamino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-[2-(phenylsulfonylamino)propylamino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[2-(benzenesulfonamido)propylamino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-(benzenesulfonamido)propylamino]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-(benzenesulfonamido)propylamino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[2-(benzenesulfonamido)propylamino]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(CNC1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S/c1-17(27-33(29,30)20-9-4-3-5-10-20)15-26-24-21-11-7-6-8-19(21)16-32-23-13-12-18(14-22(23)24)25(28)31-2/h3-14,17,24,26-27H,15-16H2,1-2H3