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

Systemtic Name: ethyl 4-[5-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-4-(4-fluorophenyl)-1-imidazolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C27H31FN6O4S MolecularWeight: 554.636243

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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=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C27H31FN6O4S/c1-4-38-27(35)32-13-11-21(12-14-32)33-16-30-24(18-5-8-20(28)9-6-18)25(33)19-7-10-22-23(15-19)34(26(29)31-22)39(36,37)17(2)3/h5-10,15-17,21H,4,11-14H2,1-3H3,(H2,29,31)