N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-3-methyl-2-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N(C)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N(C)C

InChI

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