4-[[azepan-1-ylcarbonyl-[(4-phenylphenyl)sulfonylamino]amino]methyl]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 4-[[azepan-1-ylcarbonyl-[(4-phenylphenyl)sulfonylamino]amino]methyl]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 4-[[azepane-1-carbonyl-[(4-phenylphenyl)sulfonylamino]amino]methyl]-N'-hydroxy-benzamidine CAS Name: 4-[[[1-azepanyl(oxo)methyl]-[(4-phenylphenyl)sulfonylamino]amino]methyl]-N'-hydroxybenzenecarboximidamide IUPAC Name: 4-[[azepane-1-carbonyl-[(4-phenylphenyl)sulfonylamino]amino]methyl]-N'-hydroxybenzenecarboximidamide Traditional Name: 4-[[azepane-1-carbonyl-[(4-phenylphenyl)sulfonylamino]amino]methyl]-N'-hydroxy-benzamidine Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)C(=NO)N)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)/C(=N/O)/N)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N5O4S/c28-26(29-34)24-12-10-21(11-13-24)20-32(27(33)31-18-6-1-2-7-19-31)30-37(35,36)25-16-14-23(15-17-25)22-8-4-3-5-9-22/h3-5,8-17,30,34H,1-2,6-7,18-20H2,(H2,28,29)