N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-methyl-2-nitro-benzamide

Systemtic Name: N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]-3-methyl-2-nitro-benzamide CAS Name: N-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[4-(2-ethylpiperidino)sulfonylphenyl]-3-methyl-2-nitro-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-3-17-8-4-5-14-23(17)30(28,29)18-12-10-16(11-13-18)22-21(25)19-9-6-7-15(2)20(19)24(26)27/h6-7,9-13,17H,3-5,8,14H2,1-2H3,(H,22,25)