3-azanyl-N-[[1-[(E)-N'-methylsulfonylcarbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[1-[(E)-N'-methylsulfonylcarbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[1-[(E)-N'-methylsulfonylcarbamimidoyl]-4-phenyl-4-piperidyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[1-[(E)-amino(methylsulfonylimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[1-[(E)-N'-methylsulfonylcarbamimidoyl]-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[1-[(E)-N'-mesylamidino]-4-phenyl-4-piperidyl]methyl]pyrazinamide Formula: C19H25N7O3S MolecularWeight: 431.5119

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C(N)N1CCC(CC1)(CNC(=O)C2=NC=CN=C2N)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)/N=C(\N)/N1CCC(CC1)(CNC(=O)C2=NC=CN=C2N)C3=CC=CC=C3

InChI

InChI=1S/C19H25N7O3S/c1-30(28,29)25-18(21)26-11-7-19(8-12-26,14-5-3-2-4-6-14)13-24-17(27)15-16(20)23-10-9-22-15/h2-6,9-10H,7-8,11-13H2,1H3,(H2,20,23)(H2,21,25)(H,24,27)