4-(ethylamino)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)-3-nitro-benzamide

Systemtic Name: 4-(ethylamino)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)-3-nitro-benzamide Openeye Name: 4-(ethylamino)-N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)-3-nitro-benzamide CAS Name: 4-(ethylamino)-N-[5-(4-morpholinylsulfonyl)-2-propan-2-yloxyphenyl]-3-nitrobenzamide IUPAC Name: 4-(ethylamino)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-3-nitrobenzamide Traditional Name: 4-(ethylamino)-N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)-3-nitro-benzamide Formula: C22H28N4O7S MolecularWeight: 492.54532

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O7S/c1-4-23-18-7-5-16(13-20(18)26(28)29)22(27)24-19-14-17(6-8-21(19)33-15(2)3)34(30,31)25-9-11-32-12-10-25/h5-8,13-15,23H,4,9-12H2,1-3H3,(H,24,27)