N-[(4-carbamimidoylphenyl)methyl]-1-[3-methyl-2-(sulfamoylamino)butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-methyl-2-(sulfamoylamino)butanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-methyl-2-(sulfamoylamino)butanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-methyl-1-oxo-2-(sulfamoylamino)butyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-methyl-2-(sulfamoylamino)butanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[3-methyl-2-(sulfamoylamino)butanoyl]pyrrolidine-2-carboxamide Formula: C18H28N6O4S MolecularWeight: 424.51772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)N

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)N

InChI

InChI=1S/C18H28N6O4S/c1-11(2)15(23-29(21,27)28)18(26)24-9-3-4-14(24)17(25)22-10-12-5-7-13(8-6-12)16(19)20/h5-8,11,14-15,23H,3-4,9-10H2,1-2H3,(H3,19,20)(H,22,25)(H2,21,27,28)