N-[3-chloranyl-2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-benzothiophen-6-yl]-4-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-[3-chloranyl-2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-benzothiophen-6-yl]-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazine-1-carbonyl)-3-chloro-benzothiophen-6-yl]-4-methylsulfonyl-benzenesulfonamide CAS Name: N-[3-chloro-2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzothiophen-6-yl]-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazine-1-carbonyl)-3-chloro-1-benzothiophen-6-yl]-4-methylsulfonylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazine-1-carbonyl)-3-chloro-benzothiophen-6-yl]-4-mesyl-benzenesulfonamide Formula: C27H26ClN3O5S3 MolecularWeight: 604.16044

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C27H26ClN3O5S3/c1-38(33,34)21-8-10-22(11-9-21)39(35,36)29-20-7-12-23-24(17-20)37-26(25(23)28)27(32)31-15-13-30(14-16-31)18-19-5-3-2-4-6-19/h2-12,17,29H,13-16,18H2,1H3