2-[[4-(2-chloroethyl)phenyl]amino]-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-[[4-(2-chloroethyl)phenyl]amino]-5-methylsulfonyl-benzoic acid Openeye Name: 2-[4-(2-chloroethyl)anilino]-5-methylsulfonyl-benzoic acid CAS Name: 2-[4-(2-chloroethyl)anilino]-5-methylsulfonylbenzoic acid IUPAC Name: 2-[4-(2-chloroethyl)anilino]-5-methylsulfonylbenzoic acid Traditional Name: 2-[4-(2-chloroethyl)anilino]-5-mesyl-benzoic acid Formula: C16H16ClNO4S MolecularWeight: 353.82054

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)CCCl)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)CCCl)C(=O)O

InChI

InChI=1S/C16H16ClNO4S/c1-23(21,22)13-6-7-15(14(10-13)16(19)20)18-12-4-2-11(3-5-12)8-9-17/h2-7,10,18H,8-9H2,1H3,(H,19,20)