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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[N-(p-tolylsulfonyl)anilino]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-(N-tosylanilino)propionamide Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O5S/c1-17-7-10-20(11-8-17)31(27,28)25(19-5-3-2-4-6-19)14-13-23(26)24-18-9-12-21-22(15-18)30-16-29-21/h2-12,15H,13-14,16H2,1H3,(H,24,26)