4-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]benzenecarboximidamide

Systemtic Name: 4-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]benzenecarboximidamide Openeye Name: 4-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]benzamidine CAS Name: 4-[2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]benzenecarboximidamide IUPAC Name: 4-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenecarboximidamide Traditional Name: 4-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-keto-ethyl]benzamidine Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)C(=N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)C(=N)N)OC

InChI

InChI=1S/C21H26N4O5S/c1-29-18-8-7-17(14-19(18)30-2)31(27,28)25-11-9-24(10-12-25)20(26)13-15-3-5-16(6-4-15)21(22)23/h3-8,14H,9-13H2,1-2H3,(H3,22,23)