[2-[4-[(5-chloranyl-3-methyl-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-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3-piperazin-1-yl-pyridin-2-yl]cyclohexa-2,4-dien-1-ylidene]methanone Openeye Name: [2-[4-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-3-piperazin-1-yl-2-pyridyl]cyclohexa-2,4-dien-1-ylidene]methanone CAS Name: [2-[4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3-(1-piperazinyl)-2-pyridinyl]-1-cyclohexa-2,4-dienylidene]methanone IUPAC Name: [2-[4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3-piperazin-1-ylpyridin-2-yl]cyclohexa-2,4-dien-1-ylidene]methanone Traditional Name: [2-[4-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-3-piperazino-2-pyridyl]cyclohexa-2,4-dien-1-ylidene]methanone Formula: C25H22ClN3O3S2 MolecularWeight: 512.04348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=C(C(=NC=C3)C4=CC=CCC4=C=O)N5CCNCC5

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=C(C(=NC=C3)C4=CC=CCC4=C=O)N5CCNCC5

InChI

InChI=1S/C25H22ClN3O3S2/c1-16-20-14-18(26)6-7-21(20)33-25(16)34(31,32)22-8-9-28-23(19-5-3-2-4-17(19)15-30)24(22)29-12-10-27-11-13-29/h2-3,5-9,14,27H,4,10-13H2,1H3