N-butylsulfonyl-2-methyl-3-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide

Systemtic Name: N-butylsulfonyl-2-methyl-3-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide Openeye Name: 3-[(4-benzyloxyphenyl)methyl]-N-butylsulfonyl-2-methyl-benzimidazole-5-carboxamide CAS Name: N-butylsulfonyl-2-methyl-3-[(4-phenylmethoxyphenyl)methyl]-5-benzimidazolecarboxamide IUPAC Name: N-butylsulfonyl-2-methyl-3-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide Traditional Name: 3-(4-benzoxybenzyl)-N-butylsulfonyl-2-methyl-benzimidazole-5-carboxamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C27H29N3O4S/c1-3-4-16-35(32,33)29-27(31)23-12-15-25-26(17-23)30(20(2)28-25)18-21-10-13-24(14-11-21)34-19-22-8-6-5-7-9-22/h5-15,17H,3-4,16,18-19H2,1-2H3,(H,29,31)