4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-phenethyl-piperazine-2,6-dione

Systemtic Name: 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-phenethyl-piperazine-2,6-dione Openeye Name: 4-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-1-phenethyl-piperazine-2,6-dione CAS Name: 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-phenethylpiperazine-2,6-dione IUPAC Name: 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-phenethylpiperazine-2,6-dione Traditional Name: 4-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-1-phenethyl-piperazine-2,6-quinone Formula: C21H19ClN2O4S2 MolecularWeight: 462.96956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN2O4S2/c1-14-17-11-16(22)7-8-18(17)29-21(14)30(27,28)23-12-19(25)24(20(26)13-23)10-9-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3