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

Systemtic Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-cyclopropyl-1H-pyrazol-3-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NNC(=C3)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NNC(=C3)C4CC4

InChI

InChI=1S/C19H24N4O3S/c1-14-3-7-16(8-4-14)27(25,26)23-10-2-9-22(11-12-23)19(24)18-13-17(20-21-18)15-5-6-15/h3-4,7-8,13,15H,2,5-6,9-12H2,1H3,(H,20,21)