N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-1-mesyl-isonipecotamide Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O7S2/c1-32(26,27)24-9-6-15(7-10-24)21(25)23-13-20(16-3-2-8-22-12-16)33(28,29)17-4-5-18-19(11-17)31-14-30-18/h2-5,8,11-12,15,20H,6-7,9-10,13-14H2,1H3,(H,23,25)