1,3-benzodioxol-5-yl 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate CAS Name: 4-(1-azepanylsulfonyl)-2-thiophenecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate Traditional Name: 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C18H19NO6S2 MolecularWeight: 409.47656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19NO6S2/c20-18(25-13-5-6-15-16(9-13)24-12-23-15)17-10-14(11-26-17)27(21,22)19-7-3-1-2-4-8-19/h5-6,9-11H,1-4,7-8,12H2