N-[(4-carbamimidoylphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)propanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)propanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2-naphthylsulfonylamino)propanamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2-naphthalenylsulfonylamino)propanamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)propanamide Traditional Name: N-(4-amidinobenzyl)-2-(2-naphthylsulfonylamino)propionamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22N4O3S/c1-14(21(26)24-13-15-6-8-17(9-7-15)20(22)23)25-29(27,28)19-11-10-16-4-2-3-5-18(16)12-19/h2-12,14,25H,13H2,1H3,(H3,22,23)(H,24,26)