N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[1-(naphthalen-2-ylsulfonylamino)cyclohexyl]propanamide; sulfurous acid

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[1-(naphthalen-2-ylsulfonylamino)cyclohexyl]propanamide; sulfurous acid Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-[1-(2-naphthylsulfonylamino)cyclohexyl]propanamide; sulfurous acid CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-[1-(2-naphthalenylsulfonylamino)cyclohexyl]propanamide; sulfurous acid IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[1-(naphthalen-2-ylsulfonylamino)cyclohexyl]propanamide; sulfurous acid Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-[1-(2-naphthylsulfonylamino)cyclohexyl]propionamide; sulfurous acid Formula: C26H39N5O6S2 MolecularWeight: 581.74776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CCC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.OS(=O)O

Isomeric SMILES

C1CCC(CC1)(CCC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.OS(=O)O

InChI

InChI=1S/C26H37N5O3S.H2O3S/c27-25(28)31-16-6-7-20(19-31)18-29-24(32)12-15-26(13-4-1-5-14-26)30-35(33,34)23-11-10-21-8-2-3-9-22(21)17-23;1-4(2)3/h2-3,8-11,17,20,30H,1,4-7,12-16,18-19H2,(H3,27,28)(H,29,32);(H2,1,2,3)