pyridin-3-yl 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate

Systemtic Name: pyridin-3-yl 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate Openeye Name: 3-pyridyl 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate CAS Name: 4-(1-azepanylsulfonyl)-2-thiophenecarboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate Traditional Name: 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylic acid 3-pyridyl ester Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)OC3=CN=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)OC3=CN=CC=C3

InChI

InChI=1S/C16H18N2O4S2/c19-16(22-13-6-5-7-17-11-13)15-10-14(12-23-15)24(20,21)18-8-3-1-2-4-9-18/h5-7,10-12H,1-4,8-9H2