4-[4-[(5-azanyl-2-methyl-phenyl)methylsulfonyl]piperazin-1-yl]carbonylbenzenecarboximidamide

Systemtic Name: 4-[4-[(5-azanyl-2-methyl-phenyl)methylsulfonyl]piperazin-1-yl]carbonylbenzenecarboximidamide Openeye Name: 4-[4-[(5-amino-2-methyl-phenyl)methylsulfonyl]piperazine-1-carbonyl]benzamidine CAS Name: 4-[[4-[(5-amino-2-methylphenyl)methylsulfonyl]-1-piperazinyl]-oxomethyl]benzenecarboximidamide IUPAC Name: 4-[4-[(5-amino-2-methylphenyl)methylsulfonyl]piperazine-1-carbonyl]benzenecarboximidamide Traditional Name: 4-[4-(5-amino-2-methyl-benzyl)sulfonylpiperazine-1-carbonyl]benzamidine Formula: C20H25N5O3S MolecularWeight: 415.5092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)CS(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(C=C(C=C1)N)CS(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H25N5O3S/c1-14-2-7-18(21)12-17(14)13-29(27,28)25-10-8-24(9-11-25)20(26)16-5-3-15(4-6-16)19(22)23/h2-7,12H,8-11,13,21H2,1H3,(H3,22,23)