ethyl 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]sulfonylbenzoic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N3O4S/c1-2-27-20(24)14-9-11-15(12-10-14)28(25,26)23-13-5-8-18(23)19-21-16-6-3-4-7-17(16)22-19/h3-4,6-7,9-12,18H,2,5,8,13H2,1H3,(H,21,22)/t18-/m0/s1