N-[3-(cyclopropylamino)-3-oxidanylidene-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(cyclopropylamino)-3-oxidanylidene-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(cyclopropylamino)-3-oxo-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(cyclopropylamino)-3-oxopropyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(cyclopropylamino)-3-oxopropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(cyclopropylamino)-3-keto-propyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)NC3CC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)NC3CC3

InChI

InChI=1S/C19H27N3O5S/c1-27-16-4-6-17(7-5-16)28(25,26)22-12-9-14(10-13-22)19(24)20-11-8-18(23)21-15-2-3-15/h4-7,14-15H,2-3,8-13H2,1H3,(H,20,24)(H,21,23)