3-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]benzamidine CAS Name: 3-[3-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-keto-3-[4-(4-methoxyphenyl)sulfonylpiperazino]propyl]benzamidine Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H26N4O4S/c1-29-18-6-8-19(9-7-18)30(27,28)25-13-11-24(12-14-25)20(26)10-5-16-3-2-4-17(15-16)21(22)23/h2-4,6-9,15H,5,10-14H2,1H3,(H3,22,23)