[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O5S/c1-20-9-10-21(2)26(19-20)37(34,35)30(3)24-11-13-25(14-12-24)36-27(32)22-15-17-31(18-16-22)28(33)29-23-7-5-4-6-8-23/h4-14,19,22H,15-18H2,1-3H3,(H,29,33)