N-[(4-carbamimidoylmorpholin-2-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-N-thiophen-2-yl-propanamide; sulfurous acid

Systemtic Name: N-[(4-carbamimidoylmorpholin-2-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-N-thiophen-2-yl-propanamide; sulfurous acid Openeye Name: N-[(4-carbamimidoylmorpholin-2-yl)methyl]-2-(2-naphthylsulfonylamino)-N-(2-thienyl)propanamide; sulfurous acid CAS Name: N-[(4-carbamimidoyl-2-morpholinyl)methyl]-2-(2-naphthalenylsulfonylamino)-N-thiophen-2-ylpropanamide; sulfurous acid IUPAC Name: N-[(4-carbamimidoylmorpholin-2-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-N-thiophen-2-ylpropanamide; sulfurous acid Traditional Name: N-[(4-amidinomorpholin-2-yl)methyl]-2-(2-naphthylsulfonylamino)-N-(2-thienyl)propionamide; sulfurous acid Formula: C23H29N5O7S3 MolecularWeight: 583.70066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1CN(CCO1)C(=N)N)C2=CC=CS2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.OS(=O)O

Isomeric SMILES

CC(C(=O)N(CC1CN(CCO1)C(=N)N)C2=CC=CS2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.OS(=O)O

InChI

InChI=1S/C23H27N5O4S2.H2O3S/c1-16(26-34(30,31)20-9-8-17-5-2-3-6-18(17)13-20)22(29)28(21-7-4-12-33-21)15-19-14-27(23(24)25)10-11-32-19;1-4(2)3/h2-9,12-13,16,19,26H,10-11,14-15H2,1H3,(H3,24,25);(H2,1,2,3)