ethyl 2-[4-[(3-chlorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[(3-chlorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[(3-chlorophenyl)sulfonyl-(2-thienylmethyl)amino]phenyl]acetate CAS Name: 2-[4-[(3-chlorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(3-chlorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetate Traditional Name: 2-[4-[(3-chlorophenyl)sulfonyl-(2-thenyl)amino]phenyl]acetic acid ethyl ester Formula: C21H20ClNO4S2 MolecularWeight: 449.9708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)N(CC2=CC=CS2)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)N(CC2=CC=CS2)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H20ClNO4S2/c1-2-27-21(24)13-16-8-10-18(11-9-16)23(15-19-6-4-12-28-19)29(25,26)20-7-3-5-17(22)14-20/h3-12,14H,2,13,15H2,1H3