4-(4-tert-butylphenyl)sulfonyl-N-[[2-(dimethylamino)pyridin-4-yl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-N-[[2-(dimethylamino)pyridin-4-yl]methyl]piperazine-1-carboxamide Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-N-[[2-(dimethylamino)-4-pyridyl]methyl]piperazine-1-carboxamide CAS Name: 4-(4-tert-butylphenyl)sulfonyl-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-N-[[2-(dimethylamino)pyridin-4-yl]methyl]piperazine-1-carboxamide Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-N-[[2-(dimethylamino)-4-pyridyl]methyl]piperazine-1-carboxamide Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=NC=C3)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=NC=C3)N(C)C

InChI

InChI=1S/C23H33N5O3S/c1-23(2,3)19-6-8-20(9-7-19)32(30,31)28-14-12-27(13-15-28)22(29)25-17-18-10-11-24-21(16-18)26(4)5/h6-11,16H,12-15,17H2,1-5H3,(H,25,29)