N-(3-acetamidophenyl)-1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]piperidine-3-carboxamide

Systemtic Name: N-(3-acetamidophenyl)-1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]piperidine-3-carboxamide Openeye Name: N-(3-acetamidophenyl)-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide CAS Name: N-(3-acetamidophenyl)-1-[(2,6-dichlorophenyl)methylsulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(3-acetamidophenyl)-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide Traditional Name: N-(3-acetamidophenyl)-1-(2,6-dichlorobenzyl)sulfonyl-nipecotamide Formula: C21H23Cl2N3O4S MolecularWeight: 484.39602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O4S/c1-14(27)24-16-6-2-7-17(11-16)25-21(28)15-5-4-10-26(12-15)31(29,30)13-18-19(22)8-3-9-20(18)23/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,24,27)(H,25,28)