ethyl 2-[[2-[(4-cyanophenyl)methyl]-1-propyl-benzimidazol-5-yl]-(phenylsulfonyl)amino]ethanoate

Systemtic Name: ethyl 2-[[2-[(4-cyanophenyl)methyl]-1-propyl-benzimidazol-5-yl]-(phenylsulfonyl)amino]ethanoate Openeye Name: ethyl 2-[benzenesulfonyl-[2-[(4-cyanophenyl)methyl]-1-propyl-benzimidazol-5-yl]amino]acetate CAS Name: 2-[benzenesulfonyl-[2-[(4-cyanophenyl)methyl]-1-propyl-5-benzimidazolyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzenesulfonyl-[2-[(4-cyanophenyl)methyl]-1-propylbenzimidazol-5-yl]amino]acetate Traditional Name: 2-[besyl-[2-(4-cyanobenzyl)-1-propyl-benzimidazol-5-yl]amino]acetic acid ethyl ester Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)N(CC(=O)OCC)S(=O)(=O)C3=CC=CC=C3)N=C1CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)N(CC(=O)OCC)S(=O)(=O)C3=CC=CC=C3)N=C1CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H28N4O4S/c1-3-16-31-26-15-14-23(18-25(26)30-27(31)17-21-10-12-22(19-29)13-11-21)32(20-28(33)36-4-2)37(34,35)24-8-6-5-7-9-24/h5-15,18H,3-4,16-17,20H2,1-2H3