[4-[(4-chloranyl-2-methyl-phenoxy)methyl]thiophen-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4-chloranyl-2-methyl-phenoxy)methyl]thiophen-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [4-[(4-chloro-2-methyl-phenoxy)methyl]-2-thienyl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-[(4-chloro-2-methylphenoxy)methyl]-2-thiophenyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [4-[(4-chloro-2-methylphenoxy)methyl]thiophen-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [4-[(4-chloro-2-methyl-phenoxy)methyl]-2-thienyl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C21H21ClN2O4S3 MolecularWeight: 497.05044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC2=CSC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC2=CSC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H21ClN2O4S3/c1-15-11-17(22)4-5-18(15)28-13-16-12-19(30-14-16)21(25)23-6-8-24(9-7-23)31(26,27)20-3-2-10-29-20/h2-5,10-12,14H,6-9,13H2,1H3