3-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-[4-(2-naphthylsulfonyl)piperazin-1-yl]-3-oxo-propyl]benzamidine CAS Name: 3-[3-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-keto-3-[4-(2-naphthylsulfonyl)piperazino]propyl]benzamidine Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC=CC(=C2)C(=N)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC=CC(=C2)C(=N)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H26N4O3S/c25-24(26)21-7-3-4-18(16-21)8-11-23(29)27-12-14-28(15-13-27)32(30,31)22-10-9-19-5-1-2-6-20(19)17-22/h1-7,9-10,16-17H,8,11-15H2,(H3,25,26)