N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[3-phenyl-2-(phenylsulfonylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[3-phenyl-2-(phenylsulfonylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-(benzenesulfonamido)-3-phenyl-propanoyl]-N-[(1-carbamimidoyl-4-piperidyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-(benzenesulfonamido)-1-oxo-3-phenylpropyl]-N-[(1-carbamimidoyl-4-piperidinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-(benzenesulfonamido)-3-phenylpropanoyl]-N-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: N-[(1-amidino-4-piperidyl)methyl]-1-[2-(benzenesulfonamido)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C27H36N6O4S MolecularWeight: 540.67754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)NCC4CCN(CC4)C(=N)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)NCC4CCN(CC4)C(=N)N

InChI

InChI=1S/C27H36N6O4S/c28-27(29)32-16-13-21(14-17-32)19-30-25(34)24-12-7-15-33(24)26(35)23(18-20-8-3-1-4-9-20)31-38(36,37)22-10-5-2-6-11-22/h1-6,8-11,21,23-24,31H,7,12-19H2,(H3,28,29)(H,30,34)