(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide Traditional Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-piperonyl-butyramide Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H21FN2O5S/c1-12(2)18(22-28(24,25)17-6-4-3-5-14(17)20)19(23)21-10-13-7-8-15-16(9-13)27-11-26-15/h3-9,12,18,22H,10-11H2,1-2H3,(H,21,23)/t18-/m0/s1