1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-1,4-diazepane CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-1,4-diazepane Formula: C17H23ClN4O2S MolecularWeight: 382.90812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3)Cl)C

InChI

InChI=1S/C17H23ClN4O2S/c1-14-16(17(18)20(2)19-14)25(23,24)22-10-6-9-21(11-12-22)13-15-7-4-3-5-8-15/h3-5,7-8H,6,9-13H2,1-2H3