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

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone Openeye Name: (1-methylpyrazol-4-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1-methyl-4-pyrazolyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone Traditional Name: (1-methylpyrazol-4-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C17H22N4O3S MolecularWeight: 362.44658

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-14-4-6-16(7-5-14)25(23,24)21-9-3-8-20(10-11-21)17(22)15-12-18-19(2)13-15/h4-7,12-13H,3,8-11H2,1-2H3