N-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(cycloheptylamino)-2-oxo-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(cycloheptylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(cycloheptylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(cycloheptylamino)-2-keto-ethyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)NC3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)NC3CCCCCC3

InChI

InChI=1S/C22H33N3O5S/c1-30-19-8-10-20(11-9-19)31(28,29)25-14-12-17(13-15-25)22(27)23-16-21(26)24-18-6-4-2-3-5-7-18/h8-11,17-18H,2-7,12-16H2,1H3,(H,23,27)(H,24,26)