4-[4-[[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-[[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[4-[[2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperazine-1-carboxylic acid Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5CCN(CC5)C(=O)O

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5CCN(CC5)C(=O)O

InChI

InChI=1S/C22H23N5O6S/c28-20(14-1-2-14)25-21-23-18-8-5-16(13-19(18)24-21)33-34(31,32)17-6-3-15(4-7-17)26-9-11-27(12-10-26)22(29)30/h3-8,13-14H,1-2,9-12H2,(H,29,30)(H2,23,24,25,28)