N-[3-[[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]methyl]phenyl]-2-methyl-propanamide

Systemtic Name: N-[3-[[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]methyl]phenyl]-2-methyl-propanamide Openeye Name: N-[3-[[[2-[(4-bromophenyl)sulfonyl-methyl-amino]acetyl]amino]methyl]phenyl]-2-methyl-propanamide CAS Name: N-[3-[[[2-[(4-bromophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]methyl]phenyl]-2-methylpropanamide IUPAC Name: N-[3-[[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]methyl]phenyl]-2-methylpropanamide Traditional Name: N-[3-[[[2-[brosyl(methyl)amino]acetyl]amino]methyl]phenyl]-2-methyl-propionamide Formula: C20H24BrN3O4S MolecularWeight: 482.39126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H24BrN3O4S/c1-14(2)20(26)23-17-6-4-5-15(11-17)12-22-19(25)13-24(3)29(27,28)18-9-7-16(21)8-10-18/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H,23,26)