2-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetyl]amino]thiophene-3-carboxamide Formula: C18H22N4O4S3 MolecularWeight: 454.58668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C18H22N4O4S3/c19-17(24)14-7-10-27-18(14)21-15(23)12-28-16-6-5-13(11-20-16)29(25,26)22-8-3-1-2-4-9-22/h5-7,10-11H,1-4,8-9,12H2,(H2,19,24)(H,21,23)