[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Systemtic Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Openeye Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone CAS Name: [4-(3-bromophenyl)sulfonyl-1-piperazinyl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone IUPAC Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Traditional Name: [4-(3-bromophenyl)sulfonylpiperazino]-(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone Formula: C19H21BrN2O3S2 MolecularWeight: 469.41564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C19H21BrN2O3S2/c20-14-4-3-5-15(12-14)27(24,25)22-10-8-21(9-11-22)19(23)17-13-26-18-7-2-1-6-16(17)18/h3-5,12-13H,1-2,6-11H2