ethyl 3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]propanoate CAS Name: 3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]propanoate Traditional Name: 3-[benzyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]propionic acid ethyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S/c1-2-32-24(29)15-16-28(18-19-9-5-3-6-10-19)33(30,31)21-13-14-22-23(17-21)27-25(26-22)20-11-7-4-8-12-20/h3-14,17H,2,15-16,18H2,1H3,(H,26,27)