4-(cyclopropylamino)-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-3-nitro-benzamide Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H28N4O6S/c1-2-33-21-11-9-18(15-22(21)34(31,32)26-12-4-3-5-13-26)25-23(28)16-6-10-19(24-17-7-8-17)20(14-16)27(29)30/h6,9-11,14-15,17,24H,2-5,7-8,12-13H2,1H3,(H,25,28)