4-[2-[5-[(4-tert-butylphenyl)sulfonyl-(phenylmethyl)amino]-1-methyl-benzimidazol-2-yl]ethyl]benzenecarboximidamide

Systemtic Name: 4-[2-[5-[(4-tert-butylphenyl)sulfonyl-(phenylmethyl)amino]-1-methyl-benzimidazol-2-yl]ethyl]benzenecarboximidamide Openeye Name: 4-[2-[5-[benzyl-(4-tert-butylphenyl)sulfonyl-amino]-1-methyl-benzimidazol-2-yl]ethyl]benzamidine CAS Name: 4-[2-[5-[(4-tert-butylphenyl)sulfonyl-(phenylmethyl)amino]-1-methyl-2-benzimidazolyl]ethyl]benzenecarboximidamide IUPAC Name: 4-[2-[5-[benzyl-(4-tert-butylphenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]ethyl]benzenecarboximidamide Traditional Name: 4-[2-[5-[benzyl-(4-tert-butylphenyl)sulfonyl-amino]-1-methyl-benzimidazol-2-yl]ethyl]benzamidine Formula: C34H37N5O2S MolecularWeight: 579.75488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC4=C(C=C3)N(C(=N4)CCC5=CC=C(C=C5)C(=N)N)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC4=C(C=C3)N(C(=N4)CCC5=CC=C(C=C5)C(=N)N)C

InChI

InChI=1S/C34H37N5O2S/c1-34(2,3)27-15-18-29(19-16-27)42(40,41)39(23-25-8-6-5-7-9-25)28-17-20-31-30(22-28)37-32(38(31)4)21-12-24-10-13-26(14-11-24)33(35)36/h5-11,13-20,22H,12,21,23H2,1-4H3,(H3,35,36)