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

Systemtic Name: methyl 3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-benzyl-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-benzyl-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[(4-benzyl-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S2/c1-24-18(21)17-16(8-13-25-17)26(22,23)20-10-5-9-19(11-12-20)14-15-6-3-2-4-7-15/h2-4,6-8,13H,5,9-12,14H2,1H3