methyl 3-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-(azepan-1-ylsulfonyl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-(1-azepanylsulfonyl)-3-piperidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(azepan-1-ylsulfonyl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[1-(azepan-1-ylsulfonyl)nipecotoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H27N3O5S2 MolecularWeight: 429.55408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H27N3O5S2/c1-26-18(23)16-15(8-12-27-16)19-17(22)14-7-6-11-21(13-14)28(24,25)20-9-4-2-3-5-10-20/h8,12,14H,2-7,9-11,13H2,1H3,(H,19,22)