3-[cyclohexyl-[[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]sulfonyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[cyclohexyl-[[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]sulfonyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[2-(4-benzyloxyphenyl)-3H-benzimidazol-5-yl]sulfonyl-cyclohexyl-amino]-3-oxo-propanoic acid CAS Name: 3-[cyclohexyl-[[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]sulfonyl]amino]-3-oxopropanoic acid IUPAC Name: 3-[cyclohexyl-[[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]sulfonyl]amino]-3-oxopropanoic acid Traditional Name: 3-[[2-(4-benzoxyphenyl)-3H-benzimidazol-5-yl]sulfonyl-cyclohexyl-amino]-3-keto-propionic acid Formula: C29H29N3O6S MolecularWeight: 547.62206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C(=O)CC(=O)O)S(=O)(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N(C(=O)CC(=O)O)S(=O)(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O6S/c33-27(18-28(34)35)32(22-9-5-2-6-10-22)39(36,37)24-15-16-25-26(17-24)31-29(30-25)21-11-13-23(14-12-21)38-19-20-7-3-1-4-8-20/h1,3-4,7-8,11-17,22H,2,5-6,9-10,18-19H2,(H,30,31)(H,34,35)