N-[2-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]ethyl]-3-fluoranyl-4-methyl-benzamide

Systemtic Name: N-[2-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]ethyl]-3-fluoranyl-4-methyl-benzamide Openeye Name: N-[2-[[2-[(4-bromophenyl)sulfonyl-methyl-amino]acetyl]amino]ethyl]-3-fluoro-4-methyl-benzamide CAS Name: N-[2-[[2-[(4-bromophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]ethyl]-3-fluoro-4-methylbenzamide IUPAC Name: N-[2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide Traditional Name: N-[2-[[2-[brosyl(methyl)amino]acetyl]amino]ethyl]-3-fluoro-4-methyl-benzamide Formula: C19H21BrFN3O4S MolecularWeight: 486.355143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Br)F

InChI

InChI=1S/C19H21BrFN3O4S/c1-13-3-4-14(11-17(13)21)19(26)23-10-9-22-18(25)12-24(2)29(27,28)16-7-5-15(20)6-8-16/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)(H,23,26)