phenacyl 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate

Systemtic Name: phenacyl 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate Openeye Name: phenacyl 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate CAS Name: 4-(1-azepanylsulfonyl)-2-thiophenecarboxylic acid phenacyl ester IUPAC Name: phenacyl 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate Traditional Name: 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylic acid phenacyl ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S2/c21-17(15-8-4-3-5-9-15)13-25-19(22)18-12-16(14-26-18)27(23,24)20-10-6-1-2-7-11-20/h3-5,8-9,12,14H,1-2,6-7,10-11,13H2