4-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidine-1-carboximidamide

Systemtic Name: 4-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidine-1-carboximidamide Openeye Name: 4-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]piperidine-1-carboxamidine CAS Name: 4-[[[1-azepanyl(oxo)methyl]-(2-naphthalenylsulfonylamino)amino]methyl]-1-piperidinecarboximidamide IUPAC Name: 4-[[azepane-1-carbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidine-1-carboximidamide Traditional Name: 4-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]piperidine-1-carboxamidine Formula: C24H34N6O3S MolecularWeight: 486.63016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)N(CC2CCN(CC2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)N(CC2CCN(CC2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H34N6O3S/c25-23(26)28-15-11-19(12-16-28)18-30(24(31)29-13-5-1-2-6-14-29)27-34(32,33)22-10-9-20-7-3-4-8-21(20)17-22/h3-4,7-10,17,19,27H,1-2,5-6,11-16,18H2,(H3,25,26)