thiophen-2-ylmethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: thiophen-2-ylmethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: 2-thienylmethyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid 2-thenyl ester Formula: C18H20ClNO4S2 MolecularWeight: 413.9387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO4S2/c19-16-8-7-14(18(21)24-13-15-6-5-11-25-15)12-17(16)26(22,23)20-9-3-1-2-4-10-20/h5-8,11-12H,1-4,9-10,13H2