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

Systemtic Name: 3-[3-[4-(3-chloranyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-[4-(3-chloro-4-methyl-phenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]benzamidine CAS Name: 3-[3-[4-(3-chloro-4-methylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[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=CC(=C3)C(=N)N)Cl

Isomeric SMILES

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

InChI

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