N-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]-2-methoxy-benzamide

Systemtic Name: N-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]-2-methoxy-benzamide Openeye Name: N-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetyl]-2-methoxy-benzamide CAS Name: N-[2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]-2-methoxybenzamide IUPAC Name: N-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetyl]-2-methoxybenzamide Traditional Name: N-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetyl]-2-methoxy-benzamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25N3O5S2/c1-29-18-9-5-4-8-17(18)21(26)23-19(25)15-30-20-11-10-16(14-22-20)31(27,28)24-12-6-2-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,23,25,26)