N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-(benzylsulfonylamino)propanoyl]-N-[(1-carbamimidoyl-4-piperidyl)methyl]pyrrolidine-2-carboxamide CAS Name: N-[(1-carbamimidoyl-4-piperidinyl)methyl]-1-[1-oxo-2-[(phenylmethyl)sulfonylamino]propyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-(benzylsulfonylamino)propanoyl]-N-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: N-[(1-amidino-4-piperidyl)methyl]-1-[2-(benzylsulfonylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C22H34N6O4S MolecularWeight: 478.60816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NCC2CCN(CC2)C(=N)N)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)NCC2CCN(CC2)C(=N)N)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H34N6O4S/c1-16(26-33(31,32)15-18-6-3-2-4-7-18)21(30)28-11-5-8-19(28)20(29)25-14-17-9-12-27(13-10-17)22(23)24/h2-4,6-7,16-17,19,26H,5,8-15H2,1H3,(H3,23,24)(H,25,29)