(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 3-(dimethylamino)benzoate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 3-(dimethylamino)benzoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C24H30N4O4S MolecularWeight: 470.5844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=CC(=CC=C4)N(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=CC(=CC=C4)N(C)C

InChI

InChI=1S/C24H30N4O4S/c1-4-28-22-12-11-20(33(30,31)27-13-6-5-7-14-27)16-21(22)25-23(28)17-32-24(29)18-9-8-10-19(15-18)26(2)3/h8-12,15-16H,4-7,13-14,17H2,1-3H3