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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CC=CC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4.OS(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CC=CC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4.OS(=O)O

InChI

InChI=1S/C30H33N5O3S.H2O3S/c31-30(32)35-16-6-7-21(20-35)19-33-29(36)28(18-25-12-5-11-23-9-3-4-13-27(23)25)34-39(37,38)26-15-14-22-8-1-2-10-24(22)17-26;1-4(2)3/h1-5,8-15,17,21,28,34H,6-7,16,18-20H2,(H3,31,32)(H,33,36);(H2,1,2,3)