N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(p-phenetylsulfonylamino)benzamide Formula: C27H30ClN3O6S2 MolecularWeight: 592.1266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C27H30ClN3O6S2/c1-2-37-20-11-13-21(14-12-20)38(33,34)30-25-10-6-5-9-23(25)27(32)29-26-19-22(15-16-24(26)28)39(35,36)31-17-7-3-4-8-18-31/h5-6,9-16,19,30H,2-4,7-8,17-18H2,1H3,(H,29,32)