1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane

Systemtic Name: 1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane Openeye Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane CAS Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepane IUPAC Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepane Traditional Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane Formula: C19H26BrClN4O2S MolecularWeight: 489.85734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=C(N(N=C3C)C)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C19H26BrClN4O2S/c1-4-15-12-16(20)6-7-18(15)28(26,27)25-9-5-8-24(10-11-25)13-17-14(2)22-23(3)19(17)21/h6-7,12H,4-5,8-11,13H2,1-3H3