N-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine; ethanedioic acid

Systemtic Name: N-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine; ethanedioic acid Openeye Name: N-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methyl]-1-(4-morpholinosulfonylphenyl)methanamine; oxalic acid CAS Name: N-[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)methyl]-1-[4-(4-morpholinylsulfonyl)phenyl]methanamine; oxalic acid IUPAC Name: N-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine; oxalic acid Traditional Name: (1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methyl-(4-morpholinosulfonylbenzyl)amine; oxalic acid Formula: C22H31ClN4O7S MolecularWeight: 531.02214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)CNCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)CNCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29ClN4O3S.C2H2O4/c1-3-4-9-25-20(21)19(16(2)23-25)15-22-14-17-5-7-18(8-6-17)29(26,27)24-10-12-28-13-11-24;3-1(4)2(5)6/h5-8,22H,3-4,9-15H2,1-2H3;(H,3,4)(H,5,6)