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

Systemtic Name: [5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: [5-ethyl-1-(p-tolyl)pyrazol-4-yl]-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [5-ethyl-1-(4-methylphenyl)-4-pyrazolyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: [5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: [5-ethyl-1-(p-tolyl)pyrazol-4-yl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H30N4O3S/c1-4-24-23(18-26-29(24)21-10-6-19(2)7-11-21)25(30)27-14-5-15-28(17-16-27)33(31,32)22-12-8-20(3)9-13-22/h6-13,18H,4-5,14-17H2,1-3H3