[2-[4-[(5-chloranyl-1-benzothiophen-2-yl)sulfonyl]-3-piperazin-1-yl-pyridin-2-yl]cyclohexa-2,4-dien-1-ylidene]methanone

Systemtic Name: [2-[4-[(5-chloranyl-1-benzothiophen-2-yl)sulfonyl]-3-piperazin-1-yl-pyridin-2-yl]cyclohexa-2,4-dien-1-ylidene]methanone Openeye Name: [2-[4-(5-chlorobenzothiophen-2-yl)sulfonyl-3-piperazin-1-yl-2-pyridyl]cyclohexa-2,4-dien-1-ylidene]methanone CAS Name: [2-[4-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-3-(1-piperazinyl)-2-pyridinyl]-1-cyclohexa-2,4-dienylidene]methanone IUPAC Name: [2-[4-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-3-piperazin-1-ylpyridin-2-yl]cyclohexa-2,4-dien-1-ylidene]methanone Traditional Name: [2-[4-(5-chlorobenzothiophen-2-yl)sulfonyl-3-piperazino-2-pyridyl]cyclohexa-2,4-dien-1-ylidene]methanone Formula: C24H20ClN3O3S2 MolecularWeight: 498.0169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=CN=C2C3=CC=CCC3=C=O)S(=O)(=O)C4=CC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

C1CN(CCN1)C2=C(C=CN=C2C3=CC=CCC3=C=O)S(=O)(=O)C4=CC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C24H20ClN3O3S2/c25-18-5-6-20-17(13-18)14-22(32-20)33(30,31)21-7-8-27-23(19-4-2-1-3-16(19)15-29)24(21)28-11-9-26-10-12-28/h1-2,4-8,13-14,26H,3,9-12H2