methyl 3-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C18H23N3O4S2/c1-14-5-3-6-15(19-14)13-20-8-4-9-21(11-10-20)27(23,24)16-7-12-26-17(16)18(22)25-2/h3,5-7,12H,4,8-11,13H2,1-2H3