[5-[[2-butyl-5-(butylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-methylsulfonylcarbamate

Systemtic Name: [5-[[2-butyl-5-(butylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-methylsulfonylcarbamate Openeye Name: [5-[[2-butyl-5-(butylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-methylsulfonylcarbamate CAS Name: N-methylsulfonylcarbamic acid [5-[[2-butyl-5-[[butylamino(oxo)methyl]amino]-1-benzimidazolyl]methyl]-2-phenylphenyl] ester IUPAC Name: [5-[[2-butyl-5-(butylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenylphenyl] N-methylsulfonylcarbamate Traditional Name: N-mesylcarbamic acid [5-[[2-butyl-5-(butylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C31H37N5O5S MolecularWeight: 591.72098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)NS(=O)(=O)C)C=CC(=C2)NC(=O)NCCCC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)NS(=O)(=O)C)C=CC(=C2)NC(=O)NCCCC

InChI

InChI=1S/C31H37N5O5S/c1-4-6-13-29-34-26-20-24(33-30(37)32-18-7-5-2)15-17-27(26)36(29)21-22-14-16-25(23-11-9-8-10-12-23)28(19-22)41-31(38)35-42(3,39)40/h8-12,14-17,19-20H,4-7,13,18,21H2,1-3H3,(H,35,38)(H2,32,33,37)