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

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2-azanyl-3-methyl-benzoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4S/c1-3-27-20-11-10-17(32(29,30)26-12-5-4-6-13-26)14-19(20)25-21(27)15-31-23(28)18-9-7-8-16(2)22(18)24/h7-11,14H,3-6,12-13,15,24H2,1-2H3