1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(2-thienylsulfonyl)-1,4-diazepane CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(2-thienylsulfonyl)-1,4-diazepane Formula: C15H21ClN4O2S2 MolecularWeight: 388.93584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)S(=O)(=O)C3=CC=CS3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)S(=O)(=O)C3=CC=CS3)Cl)C

InChI

InChI=1S/C15H21ClN4O2S2/c1-12-13(15(16)18(2)17-12)11-19-6-4-7-20(9-8-19)24(21,22)14-5-3-10-23-14/h3,5,10H,4,6-9,11H2,1-2H3