3-[3-methyl-5-[[methylsulfonyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenecarboximidamide

Systemtic Name: 3-[3-methyl-5-[[methylsulfonyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenecarboximidamide Openeye Name: 3-[3-methyl-5-[[methylsulfonyl(4-piperidylmethyl)amino]methyl]phenyl]benzamidine CAS Name: 3-[3-methyl-5-[[methylsulfonyl(4-piperidinylmethyl)amino]methyl]phenyl]benzenecarboximidamide IUPAC Name: 3-[3-methyl-5-[[methylsulfonyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenecarboximidamide Traditional Name: 3-[3-[[mesyl(4-piperidylmethyl)amino]methyl]-5-methyl-phenyl]benzamidine Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CN(CC3CCNCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CN(CC3CCNCC3)S(=O)(=O)C

InChI

InChI=1S/C22H30N4O2S/c1-16-10-18(12-21(11-16)19-4-3-5-20(13-19)22(23)24)15-26(29(2,27)28)14-17-6-8-25-9-7-17/h3-5,10-13,17,25H,6-9,14-15H2,1-2H3,(H3,23,24)