N,2-dimethyl-N-[(3-nitrophenyl)methyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N,2-dimethyl-N-[(3-nitrophenyl)methyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N,2-dimethyl-N-[(3-nitrophenyl)methyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: N,2-dimethyl-N-[(3-nitrophenyl)methyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N,2-dimethyl-N-[(3-nitrophenyl)methyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N,2-dimethyl-N-(3-nitrobenzyl)-5-piperidinosulfonyl-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N(C)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N(C)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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