N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[N-(p-tolylsulfonyl)anilino]propanamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(N-tosylanilino)propionamide Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCCC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCCC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O5S/c1-20-7-10-23(11-8-20)34(30,31)28(22-5-3-2-4-6-22)16-14-26(29)27-15-13-21-9-12-24-25(19-21)33-18-17-32-24/h2-12,19H,13-18H2,1H3,(H,27,29)