(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-cyclopropyl-2-phenyl-3-pyrazolyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-cyclopropyl-2-phenylpyrazol-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C25H28N4O3S/c1-19-8-12-22(13-9-19)33(31,32)28-15-5-14-27(16-17-28)25(30)24-18-23(20-10-11-20)26-29(24)21-6-3-2-4-7-21/h2-4,6-9,12-13,18,20H,5,10-11,14-17H2,1H3