2-chloranyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-5-piperidin-1-ylsulfonyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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