methyl 2-[[2-butyl-3-[[4-[(2-chlorophenyl)sulfonylcarbamoyl]phenyl]methyl]imidazol-4-yl]methylamino]benzoate

Systemtic Name: methyl 2-[[2-butyl-3-[[4-[(2-chlorophenyl)sulfonylcarbamoyl]phenyl]methyl]imidazol-4-yl]methylamino]benzoate Openeye Name: methyl 2-[[2-butyl-3-[[4-[(2-chlorophenyl)sulfonylcarbamoyl]phenyl]methyl]imidazol-4-yl]methylamino]benzoate CAS Name: 2-[[2-butyl-3-[[4-[[(2-chlorophenyl)sulfonylamino]-oxomethyl]phenyl]methyl]-4-imidazolyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-butyl-3-[[4-[(2-chlorophenyl)sulfonylcarbamoyl]phenyl]methyl]imidazol-4-yl]methylamino]benzoate Traditional Name: 2-[[2-butyl-3-[4-[(2-chlorophenyl)sulfonylcarbamoyl]benzyl]imidazol-4-yl]methylamino]benzoic acid methyl ester Formula: C30H31ClN4O5S MolecularWeight: 595.10894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=CC=C3Cl)CNC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=CC=C3Cl)CNC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C30H31ClN4O5S/c1-3-4-13-28-33-19-23(18-32-26-11-7-5-9-24(26)30(37)40-2)35(28)20-21-14-16-22(17-15-21)29(36)34-41(38,39)27-12-8-6-10-25(27)31/h5-12,14-17,19,32H,3-4,13,18,20H2,1-2H3,(H,34,36)