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

Systemtic Name: N-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine Openeye Name: N-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methyl]-1-(4-morpholinosulfonylphenyl)methanamine CAS Name: N-[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)methyl]-1-[4-(4-morpholinylsulfonyl)phenyl]methanamine IUPAC Name: N-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine Traditional Name: (1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methyl-(4-morpholinosulfonylbenzyl)amine Formula: C20H29ClN4O3S MolecularWeight: 440.98726

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN4O3S/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/h5-8,22H,3-4,9-15H2,1-2H3