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

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] cyclopentanecarboxylate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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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)C3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3CCCC3)C

InChI

InChI=1S/C21H25NO4S/c1-15-8-13-20(14-16(15)2)27(24,25)22(3)18-9-11-19(12-10-18)26-21(23)17-6-4-5-7-17/h8-14,17H,4-7H2,1-3H3