4-(ethylamino)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-(ethylamino)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: 4-(ethylamino)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-3-nitro-benzamide CAS Name: 4-(ethylamino)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(ethylamino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-(ethylamino)-N-(2-methyl-5-piperidinosulfonyl-phenyl)-3-nitro-benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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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)N3CCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-3-22-18-10-8-16(13-20(18)25(27)28)21(26)23-19-14-17(9-7-15(19)2)31(29,30)24-11-5-4-6-12-24/h7-10,13-14,22H,3-6,11-12H2,1-2H3,(H,23,26)