4-(2,4-dimethylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide

Systemtic Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide Openeye Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-methyl-3-phenyl-propyl]piperazine-1-carboxamide CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]-1-piperazinecarboxamide IUPAC Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide Traditional Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-methyl-3-phenyl-propyl]piperazine-1-carboxamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC(C)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N[C@H](C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C23H31N3O3S/c1-18-9-12-22(19(2)17-18)30(28,29)26-15-13-25(14-16-26)23(27)24-20(3)10-11-21-7-5-4-6-8-21/h4-9,12,17,20H,10-11,13-16H2,1-3H3,(H,24,27)/t20-/m1/s1