N-(4-iodophenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-iodophenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-iodophenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-iodophenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-isonipecotamide Formula: C20H23IN2O4S MolecularWeight: 514.37709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C20H23IN2O4S/c1-14-3-8-18(27-2)19(13-14)28(25,26)23-11-9-15(10-12-23)20(24)22-17-6-4-16(21)5-7-17/h3-8,13,15H,9-12H2,1-2H3,(H,22,24)