3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one

Systemtic Name: 3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one Openeye Name: 3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-indolin-1-yl-propan-1-one CAS Name: 3-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-(2,3-dihydroindol-1-yl)-1-propanone IUPAC Name: 3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one Traditional Name: 3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-indolin-1-yl-propan-1-one Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H27N3O3S2/c26-22(25-15-11-18-7-3-4-8-20(18)25)12-16-29-21-10-9-19(17-23-21)30(27,28)24-13-5-1-2-6-14-24/h3-4,7-10,17H,1-2,5-6,11-16H2