(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H25ClN4O3S MolecularWeight: 472.9876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(N(N=C3C)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(N(N=C3C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H25ClN4O3S/c1-17-9-11-20(12-10-17)32(30,31)27-14-6-13-26(15-16-27)23(29)21-18(2)25-28(22(21)24)19-7-4-3-5-8-19/h3-5,7-12H,6,13-16H2,1-2H3