4-[3-[4-(3-chloranyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 4-[3-[4-(3-chloranyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 4-[3-[4-(3-chloro-4-methyl-phenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]benzamidine CAS Name: 4-[3-[4-(3-chloro-4-methylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]benzenecarboximidamide IUPAC Name: 4-[3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenecarboximidamide Traditional Name: 4-[3-[4-(3-chloro-4-methyl-phenyl)sulfonylpiperazino]-3-keto-propyl]benzamidine Formula: C21H25ClN4O3S MolecularWeight: 448.9662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C(=N)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C(=N)N)Cl

InChI

InChI=1S/C21H25ClN4O3S/c1-15-2-8-18(14-19(15)22)30(28,29)26-12-10-25(11-13-26)20(27)9-5-16-3-6-17(7-4-16)21(23)24/h2-4,6-8,14H,5,9-13H2,1H3,(H3,23,24)