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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O5S/c1-29-18-6-8-19(9-7-18)30(27,28)24-14-10-17(11-15-24)21(26)22-16-20(25)23-12-4-2-3-5-13-23/h6-9,17H,2-5,10-16H2,1H3,(H,22,26)