4-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-nitro-benzamide Openeye Name: 4-(2-methoxyethylamino)-N-[(4-morpholinosulfonylphenyl)methyl]-3-nitro-benzamide CAS Name: 4-(2-methoxyethylamino)-N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(2-methoxyethylamino)-N-(4-morpholinosulfonylbenzyl)-3-nitro-benzamide Formula: C21H26N4O7S MolecularWeight: 478.51874

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O7S/c1-31-11-8-22-19-7-4-17(14-20(19)25(27)28)21(26)23-15-16-2-5-18(6-3-16)33(29,30)24-9-12-32-13-10-24/h2-7,14,22H,8-13,15H2,1H3,(H,23,26)