N-(4-acetamido-3-chloranyl-phenyl)-1-(4-tert-butylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-1-(4-tert-butylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-1-(4-tert-butylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-acetamido-3-chlorophenyl)-1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-1-(4-tert-butylphenyl)sulfonyl-isonipecotamide Formula: C24H30ClN3O4S MolecularWeight: 492.0307

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)Cl

InChI

InChI=1S/C24H30ClN3O4S/c1-16(29)26-22-10-7-19(15-21(22)25)27-23(30)17-11-13-28(14-12-17)33(31,32)20-8-5-18(6-9-20)24(2,3)4/h5-10,15,17H,11-14H2,1-4H3,(H,26,29)(H,27,30)