N-[(4-carbamimidoylphenyl)methyl]-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]azetidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]azetidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]azetidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[1-oxo-3,3-diphenyl-2-(sulfamoylamino)propyl]-2-azetidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]azetidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]azetidine-2-carboxamide Formula: C27H30N6O4S MolecularWeight: 534.6299

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C(C(C3=CC=CC=C3)C4=CC=CC=C4)NS(=O)(=O)N

Isomeric SMILES

C1CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C(C(C3=CC=CC=C3)C4=CC=CC=C4)NS(=O)(=O)N

InChI

InChI=1S/C27H30N6O4S/c28-25(29)21-13-11-18(12-14-21)17-31-26(34)22-15-16-33(22)27(35)24(32-38(30,36)37)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-24,32H,15-17H2,(H3,28,29)(H,31,34)(H2,30,36,37)