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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide Traditional Name: 3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-piperonyl-valeramide Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-14(2)18(23-30(25,26)17-7-5-16(27-3)6-8-17)11-21(24)22-12-15-4-9-19-20(10-15)29-13-28-19/h4-10,14,18,23H,11-13H2,1-3H3,(H,22,24)