N-[2-(3,4-diethoxyphenyl)ethyl]-1-quinolin-8-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-quinolin-8-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(8-quinolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(8-quinolinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(8-quinolylsulfonyl)isonipecotamide Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)OCC

InChI

InChI=1S/C27H33N3O5S/c1-3-34-23-11-10-20(19-24(23)35-4-2)12-16-29-27(31)22-13-17-30(18-14-22)36(32,33)25-9-5-7-21-8-6-15-28-26(21)25/h5-11,15,19,22H,3-4,12-14,16-18H2,1-2H3,(H,29,31)