1-(2-azanyl-3-phenyl-propanoyl)-2-(4-methylphenyl)sulfonyl-piperidine-2-carboximidamide

Systemtic Name: 1-(2-azanyl-3-phenyl-propanoyl)-2-(4-methylphenyl)sulfonyl-piperidine-2-carboximidamide Openeye Name: 1-(2-amino-3-phenyl-propanoyl)-2-(p-tolylsulfonyl)piperidine-2-carboxamidine CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)-2-(4-methylphenyl)sulfonyl-2-piperidinecarboximidamide IUPAC Name: 1-(2-amino-3-phenylpropanoyl)-2-(4-methylphenyl)sulfonylpiperidine-2-carboximidamide Traditional Name: 1-phenylalanyl-2-tosyl-pipecolinamidine Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(CCCCN2C(=O)C(CC3=CC=CC=C3)N)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2(CCCCN2C(=O)C(CC3=CC=CC=C3)N)C(=N)N

InChI

InChI=1S/C22H28N4O3S/c1-16-9-11-18(12-10-16)30(28,29)22(21(24)25)13-5-6-14-26(22)20(27)19(23)15-17-7-3-2-4-8-17/h2-4,7-12,19H,5-6,13-15,23H2,1H3,(H3,24,25)