N-[4-(3-methylbutanoylamino)phenyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C)C)C

InChI

InChI=1S/C27H37N3O4S/c1-17(2)15-25(31)28-23-7-9-24(10-8-23)29-27(32)22-11-13-30(14-12-22)35(33,34)26-20(5)18(3)16-19(4)21(26)6/h7-10,16-17,22H,11-15H2,1-6H3,(H,28,31)(H,29,32)