N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[N-(p-tolylsulfonyl)anilino]propanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(N-tosylanilino)propionamide Formula: C25H26N2O5S MolecularWeight: 466.54934

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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)OCCCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S/c1-19-8-11-22(12-9-19)33(29,30)27(21-6-3-2-4-7-21)15-14-25(28)26-20-10-13-23-24(18-20)32-17-5-16-31-23/h2-4,6-13,18H,5,14-17H2,1H3,(H,26,28)