N-[(3-carbamimidoylphenyl)methyl]-1-[2-(ethylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(3-carbamimidoylphenyl)methyl]-1-[2-(ethylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(3-carbamimidoylphenyl)methyl]-1-[2-(ethylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(3-carbamimidoylphenyl)methyl]-1-[2-(ethylsulfonylamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(3-carbamimidoylphenyl)methyl]-1-[2-(ethylsulfonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(3-amidinobenzyl)-1-[2-(esylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C24H31N5O4S MolecularWeight: 485.59904

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C24H31N5O4S/c1-2-34(32,33)28-20(15-17-8-4-3-5-9-17)24(31)29-13-7-12-21(29)23(30)27-16-18-10-6-11-19(14-18)22(25)26/h3-6,8-11,14,20-21,28H,2,7,12-13,15-16H2,1H3,(H3,25,26)(H,27,30)