3-[5-(2-aminocarbonylpyrrolidin-1-yl)-4-azanyl-pyrazol-1-yl]butane-1-sulfonic acid

Systemtic Name: 3-[5-(2-aminocarbonylpyrrolidin-1-yl)-4-azanyl-pyrazol-1-yl]butane-1-sulfonic acid Openeye Name: 3-[4-amino-5-(2-carbamoylpyrrolidin-1-yl)pyrazol-1-yl]butane-1-sulfonic acid CAS Name: 3-[4-amino-5-(2-carbamoyl-1-pyrrolidinyl)-1-pyrazolyl]-1-butanesulfonic acid IUPAC Name: 3-[4-amino-5-(2-carbamoylpyrrolidin-1-yl)pyrazol-1-yl]butane-1-sulfonic acid Traditional Name: 3-[4-amino-5-(2-carbamoylpyrrolidino)pyrazol-1-yl]butane-1-sulfonic acid Formula: C12H21N5O4S MolecularWeight: 331.39124

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS(=O)(=O)O)N1C(=C(C=N1)N)N2CCCC2C(=O)N

Isomeric SMILES

CC(CCS(=O)(=O)O)N1C(=C(C=N1)N)N2CCCC2C(=O)N

InChI

InChI=1S/C12H21N5O4S/c1-8(4-6-22(19,20)21)17-12(9(13)7-15-17)16-5-2-3-10(16)11(14)18/h7-8,10H,2-6,13H2,1H3,(H2,14,18)(H,19,20,21)