1-(azepan-1-yl)-2-[2-chloranyl-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-chloranyl-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone Openeye Name: 1-(azepan-1-yl)-2-(2-chloro-4-indolin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-(1-azepanyl)-2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone Traditional Name: 1-(azepan-1-yl)-2-(2-chloro-4-indolin-1-ylsulfonyl-phenoxy)ethanone Formula: C22H25ClN2O4S MolecularWeight: 448.9629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)Cl

InChI

InChI=1S/C22H25ClN2O4S/c23-19-15-18(30(27,28)25-14-11-17-7-3-4-8-20(17)25)9-10-21(19)29-16-22(26)24-12-5-1-2-6-13-24/h3-4,7-10,15H,1-2,5-6,11-14,16H2