[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-(2-methylindolin-1-yl)sulfonylbenzoate CAS Name: 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Traditional Name: 3-(2-methylindolin-1-yl)sulfonylbenzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C25H30N2O5S MolecularWeight: 470.5811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OC(C)C(=O)N4CCCCCC4

Isomeric SMILES

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OC(C)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N2O5S/c1-18-16-20-10-5-6-13-23(20)27(18)33(30,31)22-12-9-11-21(17-22)25(29)32-19(2)24(28)26-14-7-3-4-8-15-26/h5-6,9-13,17-19H,3-4,7-8,14-16H2,1-2H3