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

Systemtic Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-methyl-1-phenyl-4-pyrazolyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-methyl-1-phenylpyrazol-4-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-methyl-1-phenyl-pyrazol-4-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S/c1-18-9-11-21(12-10-18)31(29,30)26-14-6-13-25(15-16-26)23(28)22-17-24-27(19(22)2)20-7-4-3-5-8-20/h3-5,7-12,17H,6,13-16H2,1-2H3