(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-piperonyl-butyramide Formula: C20H24N2O6S MolecularWeight: 420.47936

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6S/c1-13(2)19(22-29(24,25)16-7-5-15(26-3)6-8-16)20(23)21-11-14-4-9-17-18(10-14)28-12-27-17/h4-10,13,19,22H,11-12H2,1-3H3,(H,21,23)/t19-/m0/s1