[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-19-8-10-22(11-9-19)31(29,30)27-13-5-12-25(14-15-27)23(28)21-16-24-26(18-21)17-20-6-3-2-4-7-20/h2-4,6-11,16,18H,5,12-15,17H2,1H3