3-[(5-aminocarbonyl-1-methyl-3-propyl-pyrazol-4-yl)carbamoyl]-4-propoxy-benzenesulfonyl chloride

Systemtic Name: 3-[(5-aminocarbonyl-1-methyl-3-propyl-pyrazol-4-yl)carbamoyl]-4-propoxy-benzenesulfonyl chloride Openeye Name: 3-[(5-carbamoyl-1-methyl-3-propyl-pyrazol-4-yl)carbamoyl]-4-propoxy-benzenesulfonyl chloride CAS Name: 3-[[(5-carbamoyl-1-methyl-3-propyl-4-pyrazolyl)amino]-oxomethyl]-4-propoxybenzenesulfonyl chloride IUPAC Name: 3-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)carbamoyl]-4-propoxybenzenesulfonyl chloride Traditional Name: 3-[(5-carbamoyl-1-methyl-3-propyl-pyrazol-4-yl)carbamoyl]-4-propoxy-benzenesulfonyl chloride Formula: C18H23ClN4O5S MolecularWeight: 442.91702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)Cl)OCCC)C(=O)N)C

Isomeric SMILES

CCCC1=NN(C(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)Cl)OCCC)C(=O)N)C

InChI

InChI=1S/C18H23ClN4O5S/c1-4-6-13-15(16(17(20)24)23(3)22-13)21-18(25)12-10-11(29(19,26)27)7-8-14(12)28-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H2,20,24)(H,21,25)