N-(2-bromanyl-4-methyl-phenyl)-1-(4-tert-butylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-(4-tert-butylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-(4-tert-butylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-(4-tert-butylphenyl)sulfonyl-isonipecotamide Formula: C23H29BrN2O3S MolecularWeight: 493.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)Br

InChI

InChI=1S/C23H29BrN2O3S/c1-16-5-10-21(20(24)15-16)25-22(27)17-11-13-26(14-12-17)30(28,29)19-8-6-18(7-9-19)23(2,3)4/h5-10,15,17H,11-14H2,1-4H3,(H,25,27)