phenyl 2-[2-(benzamidomethyl)benzimidazol-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[2-(benzamidomethyl)benzimidazol-1-yl]ethanesulfonate Openeye Name: phenyl 2-[2-(benzamidomethyl)benzimidazol-1-yl]ethanesulfonate CAS Name: 2-[2-(benzamidomethyl)-1-benzimidazolyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[2-(benzamidomethyl)benzimidazol-1-yl]ethanesulfonate Traditional Name: 2-[2-(benzamidomethyl)benzimidazol-1-yl]ethanesulfonic acid phenyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3N2CCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3N2CCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4S/c27-23(18-9-3-1-4-10-18)24-17-22-25-20-13-7-8-14-21(20)26(22)15-16-31(28,29)30-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,24,27)