4-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: 4-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-[3-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: 4-[3-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: 4-[3-[4-(benzothiophen-3-ylmethyl)piperazino]-3-keto-propyl]benzenesulfonamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)C(=O)CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)C(=O)CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C22H25N3O3S2/c23-30(27,28)19-8-5-17(6-9-19)7-10-22(26)25-13-11-24(12-14-25)15-18-16-29-21-4-2-1-3-20(18)21/h1-6,8-9,16H,7,10-15H2,(H2,23,27,28)