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

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-N-naphthalen-2-yl-2-(naphthalen-2-ylsulfonylamino)propanamide; sulfurous acid Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-N-(2-naphthyl)-2-(2-naphthylsulfonylamino)propanamide; sulfurous acid CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-N-(2-naphthalenyl)-2-(2-naphthalenylsulfonylamino)propanamide; sulfurous acid IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-N-naphthalen-2-yl-2-(naphthalen-2-ylsulfonylamino)propanamide; sulfurous acid Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-N-(2-naphthyl)-2-(2-naphthylsulfonylamino)propionamide; sulfurous acid Formula: C30H35N5O6S2 MolecularWeight: 625.7588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1CCCN(C1)C(=N)N)C2=CC3=CC=CC=C3C=C2)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4.OS(=O)O

Isomeric SMILES

CC(C(=O)N(CC1CCCN(C1)C(=N)N)C2=CC3=CC=CC=C3C=C2)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4.OS(=O)O

InChI

InChI=1S/C30H33N5O3S.H2O3S/c1-21(33-39(37,38)28-15-13-24-9-3-5-11-26(24)18-28)29(36)35(20-22-7-6-16-34(19-22)30(31)32)27-14-12-23-8-2-4-10-25(23)17-27;1-4(2)3/h2-5,8-15,17-18,21-22,33H,6-7,16,19-20H2,1H3,(H3,31,32);(H2,1,2,3)