1-[(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane Openeye Name: 1-(1-methylpyrazol-4-yl)sulfonyl-4-(o-tolylmethyl)-1,4-diazepane CAS Name: 1-[(2-methylphenyl)methyl]-4-[(1-methyl-4-pyrazolyl)sulfonyl]-1,4-diazepane IUPAC Name: 1-[(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane Traditional Name: 1-(2-methylbenzyl)-4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)C3=CN(N=C3)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)C3=CN(N=C3)C

InChI

InChI=1S/C17H24N4O2S/c1-15-6-3-4-7-16(15)13-20-8-5-9-21(11-10-20)24(22,23)17-12-18-19(2)14-17/h3-4,6-7,12,14H,5,8-11,13H2,1-2H3