1-(1-methylpyrazol-4-yl)sulfonyl-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-(1-methylpyrazol-4-yl)sulfonyl-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane CAS Name: 1-[(1-methyl-4-pyrazolyl)sulfonyl]-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H22N4O2S/c1-18-14-16(12-17-18)23(21,22)20-9-5-8-19(10-11-20)13-15-6-3-2-4-7-15/h2-4,6-7,12,14H,5,8-11,13H2,1H3