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

Systemtic Name: 2-chloranyl-N-[4-(3-methylbutanoylamino)phenyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[4-(3-methylbutanoylamino)phenyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[4-(3-methylbutanoylamino)phenyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[4-(isovalerylamino)phenyl]-5-piperidinosulfonyl-benzamide Formula: C23H28ClN3O4S MolecularWeight: 478.00412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C23H28ClN3O4S/c1-16(2)14-22(28)25-17-6-8-18(9-7-17)26-23(29)20-15-19(10-11-21(20)24)32(30,31)27-12-4-3-5-13-27/h6-11,15-16H,3-5,12-14H2,1-2H3,(H,25,28)(H,26,29)