methyl 3-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(3-thienylmethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[[4-(3-thenyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C16H20N2O4S3 MolecularWeight: 400.536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C16H20N2O4S3/c1-22-16(19)15-14(4-10-24-15)25(20,21)18-6-2-5-17(7-8-18)11-13-3-9-23-12-13/h3-4,9-10,12H,2,5-8,11H2,1H3