3-[4-[3-methyl-4-[3-(methylaminomethyl)phenyl]phenyl]piperidin-1-yl]-2-sulfonyl-oxane-4-carboxamide

Systemtic Name: 3-[4-[3-methyl-4-[3-(methylaminomethyl)phenyl]phenyl]piperidin-1-yl]-2-sulfonyl-oxane-4-carboxamide Openeye Name: 3-[4-[3-methyl-4-[3-(methylaminomethyl)phenyl]phenyl]-1-piperidyl]-2-sulfonyl-tetrahydropyran-4-carboxamide CAS Name: 3-[4-[3-methyl-4-[3-(methylaminomethyl)phenyl]phenyl]-1-piperidinyl]-2-sulfonyl-4-oxanecarboxamide IUPAC Name: 3-[4-[3-methyl-4-[3-(methylaminomethyl)phenyl]phenyl]piperidin-1-yl]-2-sulfonyloxane-4-carboxamide Traditional Name: 3-[4-[3-methyl-4-[3-(methylaminomethyl)phenyl]phenyl]piperidino]-2-sulfonyl-tetrahydropyran-4-carboxamide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)C3C(CCOC3=S(=O)=O)C(=O)N)C4=CC(=CC=C4)CNC

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)C3C(CCOC3=S(=O)=O)C(=O)N)C4=CC(=CC=C4)CNC

InChI

InChI=1S/C26H33N3O4S/c1-17-14-20(6-7-22(17)21-5-3-4-18(15-21)16-28-2)19-8-11-29(12-9-19)24-23(25(27)30)10-13-33-26(24)34(31)32/h3-7,14-15,19,23-24,28H,8-13,16H2,1-2H3,(H2,27,30)