[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-cyclopentylethanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-cyclopentylethanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-cyclopentylacetate CAS Name: 2-cyclopentylacetic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 2-cyclopentylacetate Traditional Name: 2-cyclopentylacetic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CC3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CC3CCCC3)C

InChI

InChI=1S/C22H27NO4S/c1-16-8-13-21(14-17(16)2)28(25,26)23(3)19-9-11-20(12-10-19)27-22(24)15-18-6-4-5-7-18/h8-14,18H,4-7,15H2,1-3H3