1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3-(1H-pyrazol-5-yl)piperidine

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3-(1H-pyrazol-5-yl)piperidine Openeye Name: 1-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-3-(1H-pyrazol-5-yl)piperidine CAS Name: 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3-(1H-pyrazol-5-yl)piperidine IUPAC Name: 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3-(1H-pyrazol-5-yl)piperidine Traditional Name: 1-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-3-(1H-pyrazol-5-yl)piperidine Formula: C17H18ClN3O2S2 MolecularWeight: 395.92672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N3CCCC(C3)C4=CC=NN4

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N3CCCC(C3)C4=CC=NN4

InChI

InChI=1S/C17H18ClN3O2S2/c1-11-14-9-13(18)4-5-16(14)24-17(11)25(22,23)21-8-2-3-12(10-21)15-6-7-19-20-15/h4-7,9,12H,2-3,8,10H2,1H3,(H,19,20)