(2S)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one

Systemtic Name: (2S)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one Openeye Name: (2S)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-(1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-(1H-indol-3-yl)propan-1-one Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C[C@@H](C(=O)C1=CNC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O3S2/c1-16(22(26)19-15-23-20-9-5-4-8-18(19)20)29-21-11-10-17(14-24-21)30(27,28)25-12-6-2-3-7-13-25/h4-5,8-11,14-16,23H,2-3,6-7,12-13H2,1H3/t16-/m0/s1