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

Systemtic Name: 4-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-methyl-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)NC(=O)C(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)NC(=O)C(C)C)S(=O)(=O)N3CCCCC3

InChI

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