4-[5-chloranyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]indol-2-yl]butanoic acid

Systemtic Name: 4-[5-chloranyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]indol-2-yl]butanoic acid Openeye Name: 4-[5-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]indol-2-yl]butanoic acid CAS Name: 4-[5-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-indolyl]butanoic acid IUPAC Name: 4-[5-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]indol-2-yl]butanoic acid Traditional Name: 4-[5-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]indol-2-yl]butyric acid Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C=C2CCCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C=C2CCCC(=O)O

InChI

InChI=1S/C17H18ClN3O4S/c1-10-17(11(2)20-19-10)26(24,25)21-14(4-3-5-16(22)23)9-12-8-13(18)6-7-15(12)21/h6-9H,3-5H2,1-2H3,(H,19,20)(H,22,23)