N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-benzamide Openeye Name: N-[(1S)-1-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-methyl-propyl]-4-chloro-benzamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide Traditional Name: 4-chloro-N-[(1S)-2-methyl-1-(piperonylcarbamoyl)propyl]benzamide Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O4/c1-12(2)18(23-19(24)14-4-6-15(21)7-5-14)20(25)22-10-13-3-8-16-17(9-13)27-11-26-16/h3-9,12,18H,10-11H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1