N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[4-methyl-N-(p-tolylsulfonyl)anilino]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide Traditional Name: 3-(4-methyl-N-tosyl-anilino)-N-piperonyl-propionamide Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H26N2O5S/c1-18-3-8-21(9-4-18)27(33(29,30)22-10-5-19(2)6-11-22)14-13-25(28)26-16-20-7-12-23-24(15-20)32-17-31-23/h3-12,15H,13-14,16-17H2,1-2H3,(H,26,28)