N-[2-[4-(2-ethyl-5-methoxy-4-methyl-benzimidazol-1-yl)phenyl]ethyl]-N-(4-methylphenyl)sulfonyl-carbamate; 4-methylbenzenesulfonate

Systemtic Name: N-[2-[4-(2-ethyl-5-methoxy-4-methyl-benzimidazol-1-yl)phenyl]ethyl]-N-(4-methylphenyl)sulfonyl-carbamate; 4-methylbenzenesulfonate Openeye Name: N-[2-[4-(2-ethyl-5-methoxy-4-methyl-benzimidazol-1-yl)phenyl]ethyl]-N-(p-tolylsulfonyl)carbamate; 4-methylbenzenesulfonate CAS Name: N-[2-[4-(2-ethyl-5-methoxy-4-methyl-1-benzimidazolyl)phenyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate; 4-methylbenzenesulfonate IUPAC Name: N-[2-[4-(2-ethyl-5-methoxy-4-methylbenzimidazol-1-yl)phenyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate; 4-methylbenzenesulfonate Traditional Name: N-[2-[4-(2-ethyl-5-methoxy-4-methyl-benzimidazol-1-yl)phenyl]ethyl]-N-tosyl-carbamate tosylate Formula: C34H35N3O8S2-2 MolecularWeight: 677.787

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C3=CC=C(C=C3)CCN(C(=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C)C=CC(=C2C)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=NC2=C(N1C3=CC=C(C=C3)CCN(C(=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C)C=CC(=C2C)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C27H29N3O5S.C7H8O3S/c1-5-25-28-26-19(3)24(35-4)15-14-23(26)30(25)21-10-8-20(9-11-21)16-17-29(27(31)32)36(33,34)22-12-6-18(2)7-13-22;1-6-2-4-7(5-3-6)11(8,9)10/h6-15H,5,16-17H2,1-4H3,(H,31,32);2-5H,1H3,(H,8,9,10)/p-2