2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-methyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(isovalerylamino)phenyl]-2-methyl-5-piperidinosulfonyl-benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C24H31N3O4S/c1-17(2)15-23(28)25-19-8-10-20(11-9-19)26-24(29)22-16-21(12-7-18(22)3)32(30,31)27-13-5-4-6-14-27/h7-12,16-17H,4-6,13-15H2,1-3H3,(H,25,28)(H,26,29)