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

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-methylphenyl)sulfonyl-propan-2-yl-amino]ethanamide Openeye Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[isopropyl(p-tolylsulfonyl)amino]acetamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-butyl-2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetamide IUPAC Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetamide Traditional Name: N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-butyl-2-[isopropyl(tosyl)amino]acetamide Formula: C28H36BrN3O3S MolecularWeight: 574.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36BrN3O3S/c1-5-6-17-31(20-26-8-7-18-30(26)19-24-11-13-25(29)14-12-24)28(33)21-32(22(2)3)36(34,35)27-15-9-23(4)10-16-27/h7-16,18,22H,5-6,17,19-21H2,1-4H3