N-[(1-carbamimidoylpiperidin-4-yl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-pyridin-1-yl]ethanamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-pyridin-1-yl]ethanamide Openeye Name: N-[(1-carbamimidoyl-4-piperidyl)methyl]-2-[6-methyl-2-oxo-3-(p-tolylsulfonylamino)-1-pyridyl]acetamide CAS Name: N-[(1-carbamimidoyl-4-piperidinyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide IUPAC Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxopyridin-1-yl]acetamide Traditional Name: N-[(1-amidino-4-piperidyl)methyl]-2-[2-keto-6-methyl-3-(tosylamino)-1-pyridyl]acetamide Formula: C22H30N6O4S MolecularWeight: 474.5764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(N(C2=O)CC(=O)NCC3CCN(CC3)C(=N)N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(N(C2=O)CC(=O)NCC3CCN(CC3)C(=N)N)C

InChI

InChI=1S/C22H30N6O4S/c1-15-3-6-18(7-4-15)33(31,32)26-19-8-5-16(2)28(21(19)30)14-20(29)25-13-17-9-11-27(12-10-17)22(23)24/h3-8,17,26H,9-14H2,1-2H3,(H3,23,24)(H,25,29)