thiophen-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: thiophen-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-thienylmethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid 2-thenyl ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CS3

InChI

InChI=1S/C18H21NO4S2/c20-18(23-14-16-6-5-13-24-16)15-7-9-17(10-8-15)25(21,22)19-11-3-1-2-4-12-19/h5-10,13H,1-4,11-12,14H2