2-[3-[2-[(4-chlorophenyl)carbonyl-methyl-amino]phenyl]propyl]-4-methyl-benzenesulfonic acid

Systemtic Name: 2-[3-[2-[(4-chlorophenyl)carbonyl-methyl-amino]phenyl]propyl]-4-methyl-benzenesulfonic acid Openeye Name: 2-[3-[2-[(4-chlorobenzoyl)-methyl-amino]phenyl]propyl]-4-methyl-benzenesulfonic acid CAS Name: 2-[3-[2-[[(4-chlorophenyl)-oxomethyl]-methylamino]phenyl]propyl]-4-methylbenzenesulfonic acid IUPAC Name: 2-[3-[2-[(4-chlorobenzoyl)-methylamino]phenyl]propyl]-4-methylbenzenesulfonic acid Traditional Name: 2-[3-[2-[(4-chlorobenzoyl)-methyl-amino]phenyl]propyl]-4-methyl-besylic acid Formula: C24H24ClNO4S MolecularWeight: 457.96966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CCCC2=CC=CC=C2N(C)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CCCC2=CC=CC=C2N(C)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H24ClNO4S/c1-17-10-15-23(31(28,29)30)20(16-17)8-5-7-18-6-3-4-9-22(18)26(2)24(27)19-11-13-21(25)14-12-19/h3-4,6,9-16H,5,7-8H2,1-2H3,(H,28,29,30)