ethyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(phenylsulfonyl)amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(phenylsulfonyl)amino]ethanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-oxoethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[besyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C26H26N2O7S MolecularWeight: 510.55884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O7S/c1-3-33-26(30)19-10-9-18(2)22(15-19)27-25(29)17-28(36(31,32)21-7-5-4-6-8-21)20-11-12-23-24(16-20)35-14-13-34-23/h4-12,15-16H,3,13-14,17H2,1-2H3,(H,27,29)