ethyl 4-[5-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-4-phenyl-imidazol-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-4-phenyl-imidazol-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-4-phenyl-imidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-4-phenyl-1-imidazolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-4-phenylimidazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-4-phenyl-imidazol-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C27H32N6O4S MolecularWeight: 536.64578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C=NC(=C2C3=CC4=C(C=C3)N=C(N4S(=O)(=O)C(C)C)N)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=NC(=C2C3=CC4=C(C=C3)N=C(N4S(=O)(=O)C(C)C)N)C5=CC=CC=C5

InChI

InChI=1S/C27H32N6O4S/c1-4-37-27(34)31-14-12-21(13-15-31)32-17-29-24(19-8-6-5-7-9-19)25(32)20-10-11-22-23(16-20)33(26(28)30-22)38(35,36)18(2)3/h5-11,16-18,21H,4,12-15H2,1-3H3,(H2,28,30)