N-[4-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]phenyl]ethanamide Openeye Name: N-[4-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]phenyl]acetamide CAS Name: N-[4-[[[1-azepanyl(oxo)methyl]-(2-naphthalenylsulfonylamino)amino]methyl]phenyl]acetamide IUPAC Name: N-[4-[[azepane-1-carbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]phenyl]acetamide Traditional Name: N-[4-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]phenyl]acetamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN(C(=O)N2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN(C(=O)N2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H30N4O4S/c1-20(31)27-24-13-10-21(11-14-24)19-30(26(32)29-16-6-2-3-7-17-29)28-35(33,34)25-15-12-22-8-4-5-9-23(22)18-25/h4-5,8-15,18,28H,2-3,6-7,16-17,19H2,1H3,(H,27,31)