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

Systemtic Name: 4-chloranyl-N-[4-(3-methylbutanoylamino)phenyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[4-(3-methylbutanoylamino)phenyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-chloro-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[4-(3-methylbutanoylamino)phenyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[4-(isovalerylamino)phenyl]-3-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=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O4S/c1-16(2)14-22(28)25-18-7-9-19(10-8-18)26-23(29)17-6-11-20(24)21(15-17)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)