2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(2-methoxyphenyl)methyl]propanamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-o-anisyl-propionamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1OC)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O4S2/c1-17(22(26)24-15-18-9-5-6-10-20(18)29-2)30-21-12-11-19(16-23-21)31(27,28)25-13-7-3-4-8-14-25/h5-6,9-12,16-17H,3-4,7-8,13-15H2,1-2H3,(H,24,26)