N-[3-[ethyl-(3-methylphenyl)amino]propyl]-1-morpholin-4-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-[ethyl-(3-methylphenyl)amino]propyl]-1-morpholin-4-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[3-(N-ethyl-3-methyl-anilino)propyl]-1-morpholinosulfonyl-piperidine-3-carboxamide CAS Name: N-[3-(N-ethyl-3-methylanilino)propyl]-1-(4-morpholinylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[3-(N-ethyl-3-methylanilino)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[3-(N-ethyl-3-methyl-anilino)propyl]-1-morpholinosulfonyl-nipecotamide Formula: C22H36N4O4S MolecularWeight: 452.61064

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1CCCN(C1)S(=O)(=O)N2CCOCC2)C3=CC=CC(=C3)C

Isomeric SMILES

CCN(CCCNC(=O)C1CCCN(C1)S(=O)(=O)N2CCOCC2)C3=CC=CC(=C3)C

InChI

InChI=1S/C22H36N4O4S/c1-3-24(21-9-4-7-19(2)17-21)11-6-10-23-22(27)20-8-5-12-26(18-20)31(28,29)25-13-15-30-16-14-25/h4,7,9,17,20H,3,5-6,8,10-16,18H2,1-2H3,(H,23,27)