methyl 3-[[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-4-piperidinyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-4-yl]sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[[4-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C22H28N4O6S3 MolecularWeight: 540.67592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)NC2(CCNCC2)C(=O)N3CCCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)NC2(CCNCC2)C(=O)N3CCCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N4O6S3/c1-32-20(28)18-17(5-15-34-18)35(30,31)24-22(6-8-23-9-7-22)21(29)26-11-3-10-25(12-13-26)19(27)16-4-2-14-33-16/h2,4-5,14-15,23-24H,3,6-13H2,1H3