N-butyl-2-[2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanoylamino]benzamide

Systemtic Name: N-butyl-2-[2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanoylamino]benzamide Openeye Name: 2-[[2-(4-benzyloxy-N-methylsulfonyl-anilino)acetyl]amino]-N-butyl-benzamide CAS Name: N-butyl-2-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-oxoethyl]amino]benzamide IUPAC Name: N-butyl-2-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]benzamide Traditional Name: 2-[[2-(4-benzoxy-N-mesyl-anilino)acetyl]amino]-N-butyl-benzamide Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C27H31N3O5S/c1-3-4-18-28-27(32)24-12-8-9-13-25(24)29-26(31)19-30(36(2,33)34)22-14-16-23(17-15-22)35-20-21-10-6-5-7-11-21/h5-17H,3-4,18-20H2,1-2H3,(H,28,32)(H,29,31)