N-[7-[(3S)-3-methoxypiperidin-1-yl]carbonyl-1-phenethyl-benzimidazol-5-yl]methanesulfonamide

Systemtic Name: N-[7-[(3S)-3-methoxypiperidin-1-yl]carbonyl-1-phenethyl-benzimidazol-5-yl]methanesulfonamide Openeye Name: N-[7-[(3S)-3-methoxypiperidine-1-carbonyl]-1-phenethyl-benzimidazol-5-yl]methanesulfonamide CAS Name: N-[7-[[(3S)-3-methoxy-1-piperidinyl]-oxomethyl]-1-phenethyl-5-benzimidazolyl]methanesulfonamide IUPAC Name: N-[7-[(3S)-3-methoxypiperidine-1-carbonyl]-1-phenethylbenzimidazol-5-yl]methanesulfonamide Traditional Name: N-[7-[(3S)-3-methoxypiperidine-1-carbonyl]-1-phenethyl-benzimidazol-5-yl]methanesulfonamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCN(C1)C(=O)C2=CC(=CC3=C2N(C=N3)CCC4=CC=CC=C4)NS(=O)(=O)C

Isomeric SMILES

CO[C@H]1CCCN(C1)C(=O)C2=CC(=CC3=C2N(C=N3)CCC4=CC=CC=C4)NS(=O)(=O)C

InChI

InChI=1S/C23H28N4O4S/c1-31-19-9-6-11-26(15-19)23(28)20-13-18(25-32(2,29)30)14-21-22(20)27(16-24-21)12-10-17-7-4-3-5-8-17/h3-5,7-8,13-14,16,19,25H,6,9-12,15H2,1-2H3/t19-/m0/s1