1-butyl-2-[(1S)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(1S)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(1S)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]thio]benzimidazole-5-sulfonamide Formula: C27H26N4O3S2 MolecularWeight: 518.65034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1S[C@@H](C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H26N4O3S2/c1-2-3-15-31-24-14-13-19(36(28,33)34)16-23(24)30-27(31)35-26(18-9-5-4-6-10-18)25(32)21-17-29-22-12-8-7-11-20(21)22/h4-14,16-17,26,29H,2-3,15H2,1H3,(H2,28,33,34)/t26-/m0/s1