2-[2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-N-propyl-benzamide

Systemtic Name: 2-[2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-N-propyl-benzamide Openeye Name: 2-[[2-(3-ethoxy-N-methylsulfonyl-anilino)acetyl]amino]-N-propyl-benzamide CAS Name: 2-[[2-(3-ethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]-N-propylbenzamide IUPAC Name: 2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide Traditional Name: 2-[[2-(3-ethoxy-N-mesyl-anilino)acetyl]amino]-N-propyl-benzamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)OCC)S(=O)(=O)C

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)OCC)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O5S/c1-4-13-22-21(26)18-11-6-7-12-19(18)23-20(25)15-24(30(3,27)28)16-9-8-10-17(14-16)29-5-2/h6-12,14H,4-5,13,15H2,1-3H3,(H,22,26)(H,23,25)