N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[butyl-(4-methylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[butyl-(4-methylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[butyl(p-tolylsulfonyl)amino]acetamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-butyl-2-[butyl-(4-methylphenyl)sulfonylamino]acetamide IUPAC Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[butyl-(4-methylphenyl)sulfonylamino]acetamide Traditional Name: N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-butyl-2-[butyl(tosyl)amino]acetamide Formula: C29H38BrN3O3S MolecularWeight: 588.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCCC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCCC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C29H38BrN3O3S/c1-4-6-18-32(22-27-9-8-19-31(27)21-25-12-14-26(30)15-13-25)29(34)23-33(20-7-5-2)37(35,36)28-16-10-24(3)11-17-28/h8-17,19H,4-7,18,20-23H2,1-3H3