N'-(piperazin-1-ylmethyl)-2-(4-propylphenyl)sulfonyl-benzenecarboximidamide

Systemtic Name: N'-(piperazin-1-ylmethyl)-2-(4-propylphenyl)sulfonyl-benzenecarboximidamide Openeye Name: N'-(piperazin-1-ylmethyl)-2-(4-propylphenyl)sulfonyl-benzamidine CAS Name: N'-(1-piperazinylmethyl)-2-(4-propylphenyl)sulfonylbenzenecarboximidamide IUPAC Name: N'-(piperazin-1-ylmethyl)-2-(4-propylphenyl)sulfonylbenzenecarboximidamide Traditional Name: N'-(piperazinomethyl)-2-(4-propylphenyl)sulfonyl-benzamidine Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2C(=NCN3CCNCC3)N

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2/C(=N/CN3CCNCC3)/N

InChI

InChI=1S/C21H28N4O2S/c1-2-5-17-8-10-18(11-9-17)28(26,27)20-7-4-3-6-19(20)21(22)24-16-25-14-12-23-13-15-25/h3-4,6-11,23H,2,5,12-16H2,1H3,(H2,22,24)