(2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-(pyridin-4-ylmethyl)piperazine

Systemtic Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-(pyridin-4-ylmethyl)piperazine Openeye Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-(4-pyridylmethyl)piperazine CAS Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-(pyridin-4-ylmethyl)piperazine IUPAC Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-(pyridin-4-ylmethyl)piperazine Traditional Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-(4-pyridylmethyl)piperazine Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)CC3=CC=NC=C3

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)CC3=CC=NC=C3

InChI

InChI=1S/C21H29N3O2S/c1-17-15-23(16-18-9-11-22-12-10-18)13-14-24(17)27(25,26)20-7-5-19(6-8-20)21(2,3)4/h5-12,17H,13-16H2,1-4H3/t17-/m1/s1