N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-nitro-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-nitro-benzamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-nitrobenzamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-nitro-benzamide Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6S/c28-23(18-6-5-7-19(16-18)27(29)30)24-21-17-20(34(31,32)26-12-14-33-15-13-26)8-9-22(21)25-10-3-1-2-4-11-25/h5-9,16-17H,1-4,10-15H2,(H,24,28)