N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-methyl-3-piperidinosulfonyl-N-piperonyl-benzamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H24N2O5S/c1-15-5-7-17(12-20(15)29(25,26)23-9-3-2-4-10-23)21(24)22-13-16-6-8-18-19(11-16)28-14-27-18/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,22,24)